96-21-9 - Angene

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1,3-Dibromopropan-2-ol

CAS No.:

96-21-9

Catalog Number:

AG003DJ0

Molecular Formula:

C3H6Br2O

Molecular Weight:

217.8871

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Product Description

Catalog Number:

AG003DJ0

Chemical Name:

1,3-Dibromopropan-2-ol

CAS Number:

96-21-9

Molecular Formula:

C3H6Br2O

Molecular Weight:

217.8871

MDL Number:

MFCD00000216

IUPAC Name:

1,3-dibromopropan-2-ol

InChI:

InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2

InChI Key:

KIHQZLPHVZKELA-UHFFFAOYSA-N

SMILES:

BrCC(CBr)O

EC Number:

202-489-8

UNII:

4L2X3X1FPT

NSC Number:

636

Properties

Complexity:

28

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

217.876g/mol

Formal Charge:

0

Heavy Atom Count:

6

Hydrogen Bond Acceptor Count:

1

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

217.888g/mol

Monoisotopic Mass:

215.879g/mol

Rotatable Bond Count:

2

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

0

Undefined Bond Stereocenter Count:

0

XLogP3:

1.1

Literature

Title	Journal
Modulation of hepatocyte thiol content by medium composition: implications for toxicity studies.	Toxicology in vitro : an international journal published in association with BIBRA 20020601
Sugar-pendant diamines.	The Journal of organic chemistry 20010601

Properties