1-Chloro-3-nitropropane

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H6ClNO2
Molecular Weight	123.538
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Chloro-3-nitropropane

Structure Search

SMILES

[O-][N+](=O)CCCCl

InChI

InChIKey=ZMEJRPKJAMJHCX-UHFFFAOYSA-N

InChI=1S/C3H6ClNO2/c4-2-1-3-5(6)7/h1-3H2

HIDE SMILES / InChI

Molecular Formula	C3H6ClNO2
Molecular Weight	123.538
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 `Wed Apr 02 14:44:51 GMT 2025` Edited by `admin` on `Wed Apr 02 14:44:51 GMT 2025`
Record UNII	4T5454V3JW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Chloro-3-nitropropane

Systematic Name

English

NSC-17666

Preferred Name

English

3-Chloro-1-nitropropane

Systematic Name

English

Propane, 1-chloro-3-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

4T5454V3JW

Created by admin on Wed Apr 02 14:44:51 GMT 2025 , Edited by admin on Wed Apr 02 14:44:51 GMT 2025

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NSC

17666

Created by admin on Wed Apr 02 14:44:51 GMT 2025 , Edited by admin on Wed Apr 02 14:44:51 GMT 2025

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PUBCHEM

187850

Created by admin on Wed Apr 02 14:44:51 GMT 2025 , Edited by admin on Wed Apr 02 14:44:51 GMT 2025

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EPA CompTox

DTXSID30937259

Created by admin on Wed Apr 02 14:44:51 GMT 2025 , Edited by admin on Wed Apr 02 14:44:51 GMT 2025

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CAS

16694-52-3

Created by admin on Wed Apr 02 14:44:51 GMT 2025 , Edited by admin on Wed Apr 02 14:44:51 GMT 2025

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