4-Bromobutanoic Acid

CAT: 1299-RG-B181552-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-B181552-01Size:10 mg

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CAS Number

2623-87-2

Synonyms

4-bromobutanoic acid

Molecular Formula

C4H7BrO2

Molecular Weight

167

Target Alternative Name

Butanoic Acid

Product Name Synonym

4-bromobutanoic acid

Chemical Information

4-Bromobutyric acid

CAS Number	2623-87-2
PubChem CID	75809
IUPAC Name	4-bromobutanoic acid
Molecular Formula	C4H7BrO2
Molecular Weight	167.00
XLogP	0.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	62

SMILES

C(CC(=O)O)CBr

InChI

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

InChIKey

GRHQDJDRGZFIPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2623-87-2

CID: 75809

Formula: C4H7BrO2

MW: 167.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.00
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	165.96294
Monoisotopic Mass	165.96294
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	62.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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RG-A262417-01	4-Azidobenzoic Acid
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Catalog	Name
AR-B08091-01	4-Bromobutanoic Acid
AR-P02859-01	2-bromobutanoic acid
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CSB-DT4841	(S) -2-Amino-4-bromobutanoic acid-HBr
HY-W015333R-01	2-Bromobutanoic acid (Standard)
HY-W015333S	2-Bromobutanoic acid-d6
OR1008680-01	(S) -2-Bromobutanoic Acid
XGA16988	(S) -Fmoc-2-Amino-4-bromobutanoic acid
OR1008675-01	(S) -2-Amino-4-Bromobutanoic Acid Hydrobromide
MBS9025324-01	(S)-2-Amino-4-bromobutanoic acid-HBr