2-Bromodiethylacetic acid

CAT: 0024-sc-298320Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-298320Size:5 g

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CAS Number

5456-23-5

Chemical Information

2-Bromo-2-ethylbutanoic acid

CAS Number	5456-23-5
PubChem CID	220965
IUPAC Name	2-bromo-2-ethylbutanoic acid
Molecular Formula	C6H11BrO2
Molecular Weight	195.05
XLogP	2.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	108

SMILES

CCC(CC)(C(=O)O)Br

InChI

InChI=1S/C6H11BrO2/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H,8,9)

InChIKey

CBRCMTPPRWRXJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5456-23-5

CID: 220965

Formula: C6H11BrO2

MW: 195.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.05
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	193.99424
Monoisotopic Mass	193.99424
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
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-504049	α-Bromodiethylacetic Acid Ethyl Ester
sc-283301	2,2-Dimethylnonanoic Acid
sc-230702	2,2-Difluorobutyric acid
sc-275212	2,2-Dimethylhexanoic acid
sc-283301A	2,2-Dimethylnonanoic Acid
sc-230711	2,2-Dimethylbutyric acid
sc-265935	2,2-Difluorosuccinic acid
sc-225563	2,2-Dimethylvaleric acid
sc-497119	2,2-Diphenylhydantoic Acid
sc-288344	2,2-Dimethylethenylboronic acid

Catalog	Name
B20380-01	A-Bromodiethylacetic acid 98%
263199-01	A-Bromodiethylacetic acid ethyl ester
TRC-B683460-10G	alpha-Bromodiethylacetic Acid Ethyl Ester
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid