3- (2-bromophenyl) -3-hydroxybutanoic acid

CAT: 0127-OR1081625-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1081625-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1251390-37-0

MDL Number

MFCD16749094

Purity

97%

Smiles

C1ccc (c (c1) Br) C (O) (CC (=O) O) C

Chemical Information

3-(2-Bromophenyl)-3-hydroxybutanoic acid

CAS Number	1251390-37-0
PubChem CID	62394168
IUPAC Name	3-(2-bromophenyl)-3-hydroxybutanoic acid
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	1.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

CC(CC(=O)O)(C1=CC=CC=C1Br)O

InChI

InChI=1S/C10H11BrO3/c1-10(14,6-9(12)13)7-4-2-3-5-8(7)11/h2-5,14H,6H2,1H3,(H,12,13)

InChIKey

VGFDXPWUSZROOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1251390-37-0

CID: 62394168

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1044089-01	3-Hydroxybutanoic acid
OR1070666-01	2-Amino-3-hydroxybutanoic acid
BUP15897-01	(R) -3-Hydroxybutanoic acid
BUP15932-01	(S) -3-Hydroxybutanoic acid
OR1030071-01	(R) -3-Hydroxybutanoic Acid
OR64745-01	(R) -2-Hydroxybutanoic acid
OR1046161	3-Amino-4-hydroxybutanoic acid
BUP18275-01	(R) -3-Hydroxybutanoic acid sodium
OR1057-01	4-Amino-3-hydroxybutanoic acid
OR28038	4- (Dimethylamino) -3-hydroxybutanoic acid

Catalog	Name
sc-490037	2-Hydroxybutanoic Acid
EJB85158-01	2-Ethyl-3-hydroxybutanoic acid
KWB93495-01	2- (Cyclopropylformamido) -3-hydroxybutanoic acid
TN9404-01	2-Amino-3-hydroxybutanoic acid
KWB69936-01	2- (Cyclopentylformamido) -3-hydroxybutanoic acid
YIB78625-01	2,2-Difluoro-3-hydroxybutanoic acid
ZZB63328-01	2- (3-Chlorophenyl) -2-hydroxybutanoic acid
HY-W018499-01	(S) -2-Hydroxybutanoic acid
TRC-H956328-500MG	(S)-2-Hydroxybutanoic Acid
HY-113381A-01	(R) -2-Hydroxybutanoic acid