U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C4H9Cl
Molecular Weight 92.567
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLOROBUTANE, (-)-

SMILES

CC[C@@H](C)Cl

InChI

InChIKey=BSPCSKHALVHRSR-SCSAIBSYSA-N
InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C4H9Cl
Molecular Weight 92.567
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GRV78Y270O
Record Status Validated (UNII)
Record Version