4-BROMO-2,2-DIPHENYLBUTYRONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H14BrN
Molecular Weight	300.193
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-BROMO-2,2-DIPHENYLBUTYRONITRILE

Structure Search

SMILES

BrCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=IGYSFJHVFHNOEI-UHFFFAOYSA-N

InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2

HIDE SMILES / InChI

Molecular Formula	C16H14BrN
Molecular Weight	300.193
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:28:01 GMT 2023` Edited by `admin` on `Sat Dec 16 11:28:01 GMT 2023`
Record UNII	F9GC5AHQ68
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-BROMO-2,2-DIPHENYLBUTYRONITRILE

Systematic Name

English

BENZENEACETONITRILE, .ALPHA.-(2-BROMOETHYL)-.ALPHA.-PHENYL-

Systematic Name

English

NSC-80688

Code

English

BUTYRONITRILE, 4-BROMO-2,2-DIPHENYL-

Systematic Name

English

Code System Code Type Description

NSC

80688

Created by admin on Sat Dec 16 11:28:02 GMT 2023 , Edited by admin on Sat Dec 16 11:28:02 GMT 2023

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PUBCHEM

96575

Created by admin on Sat Dec 16 11:28:02 GMT 2023 , Edited by admin on Sat Dec 16 11:28:02 GMT 2023

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CAS

39186-58-8

Created by admin on Sat Dec 16 11:28:02 GMT 2023 , Edited by admin on Sat Dec 16 11:28:02 GMT 2023

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EPA CompTox

DTXSID10192425

Created by admin on Sat Dec 16 11:28:02 GMT 2023 , Edited by admin on Sat Dec 16 11:28:02 GMT 2023

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FDA UNII

F9GC5AHQ68

Created by admin on Sat Dec 16 11:28:02 GMT 2023 , Edited by admin on Sat Dec 16 11:28:02 GMT 2023

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