3-Bromo-2,2-dimethylpropionic acid

CAT: 0024-sc-225965Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-225965Size:1 g

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CAS Number

2843-17-6

Chemical Information

3-Bromo-2,2-dimethylpropanoic acid

CAS Number	2843-17-6
PubChem CID	271932
IUPAC Name	3-bromo-2,2-dimethylpropanoic acid
Molecular Formula	C5H9BrO2
Molecular Weight	181.03
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	98

SMILES

CC(C)(CBr)C(=O)O

InChI

InChI=1S/C5H9BrO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)

InChIKey

FYHBVTYDATZUEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2843-17-6

CID: 271932

Formula: C5H9BrO2

MW: 181.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.03
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	179.97859
Monoisotopic Mass	179.97859
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.6
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

Catalog	Name
sc-226005	3-Chloro-2,2-dimethylpropionic acid
sc-276256	3-Hydroxy-2,2-dimethylpropionic acid
sc-231948	3,3,3-Trifluoro-2,2-dimethylpropionic acid
sc-283302	2,2-Dimethylpropionic acid hydrazide
sc-260750	3-Bromo-2,2,3-trifluoropropanoic acid
sc-251961	3-Bromo-2-butoxyphenylboronic acid
sc-356673A	3-Bromo-2-fluorophenylacetic acid
sc-225194	2-Bromo-3-fluoropropionic acid
sc-229991	2-Bromo-3-methylbenzoic acid
sc-229995	2-Bromo-3-thiophenecarboxylic acid

Catalog	Name
OR938856-01	3-Bromo-2,2-dimethylpropionic acid
424872-01	3-Chloro-2,2-dimethylpropionic acid
419362-01	2,2-Dimethylpropionic acid hydrazide
abx181855-01	3,3,3-Trifluoro-2,2-dimethylpropionic acid
GEA66088-01	2-Bromo-2,3-dimethylbutanoic acid
IFA28120-01	3-Bromo-2,2-difluoropropanoic acid
PC2483	3-Bromo-2,2,3-trifluoropropanoic acid
PC5515	2-Bromo-2,3,3,3-tetrafluoropropionic acid
FB38975-01	2-Bromo-3-methylbenzoic acid
FB142809-01	2-Bromo-3-thiophenecarboxylic acid