1578-21-8 - Angene

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3,3-Dibromoacrylic acid

CAS No.:

1578-21-8

Catalog Number:

AG00AZCP

Molecular Formula:

C3H2Br2O2

Molecular Weight:

229.8548

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Product Description

Catalog Number:

AG00AZCP

Chemical Name:

3,3-Dibromoacrylic acid

CAS Number:

1578-21-8

Molecular Formula:

C3H2Br2O2

Molecular Weight:

229.8548

MDL Number:

MFCD22054779

IUPAC Name:

3,3-dibromoprop-2-enoic acid

InChI:

InChI=1S/C3H2Br2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)

InChI Key:

VWWPGQPTCCQNIO-UHFFFAOYSA-N

SMILES:

BrC(=CC(=O)O)Br

Properties

Complexity:

104

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

229.84g/mol

Formal Charge:

0

Heavy Atom Count:

7

Hydrogen Bond Acceptor Count:

2

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

229.855g/mol

Monoisotopic Mass:

227.842g/mol

Rotatable Bond Count:

1

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

0

Undefined Bond Stereocenter Count:

0

XLogP3:

1.6

Literature

Title	Journal
Formation and decomposition of new and unknown polar brominated disinfection byproducts during chlorination.	Environmental science & technology 20110315
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501