CAS 2623-87-2 | Butanoic acid, 4-bromo- | CAS Number 2623-87-2

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2623-87-2 | Butanoic acid, 4-bromo-

CAS No: 2623-87-2 Catalog No: AG002SED MDL No:MFCD00002817

Product Description

Catalog Number:

AG002SED

Chemical Name:

Butanoic acid, 4-bromo-

CAS Number:

2623-87-2

Molecular Formula:

C4H7BrO2

Molecular Weight:

167.0012

MDL Number:

MFCD00002817

IUPAC Name:

4-bromobutanoic acid

InChI:

InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

InChI Key:

GRHQDJDRGZFIPO-UHFFFAOYSA-N

SMILES:

BrCCCC(=O)O

EC Number:

220-083-9

NSC Number:

99322

Properties

Complexity:

62.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.002g/mol

Monoisotopic Mass:

165.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones.	Bioorganic & medicinal chemistry 20110101
Conformationally constrained analogues of diacylglycerol (DAG). 31. Modulation of the biological properties of diacylgycerol lactones (DAG-lactones) containing rigid-rod acyl groups separated from the core lactone by spacer units of different lengths.	Journal of medicinal chemistry 20090528
Methyl 4-[5-(4-fluoro-phen-yl)-4-(pyridin-4-yl)-1H-imidazol-2-ylsulfan-yl]butanoate.	Acta crystallographica. Section E, Structure reports online 20080701
Characterization of alkyl-nickel adducts generated by reaction of methyl-coenzyme m reductase with brominated acids.	Biochemistry 20071023
Probing the reactivity of Ni in the active site of methyl-coenzyme M reductase with substrate analogues.	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20040901