Methyl 3-bromo-β-hydroxybenzenepropanoate

CAT: 0127-OR1100744-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1100744-01Size:250 mg

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

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CAS Number

193465-77-9

Purity

95%

Smiles

COC (=O) CC (C1=CC (=CC=C1) Br) O

Chemical Information

Methyl 3-(3-bromophenyl)-3-hydroxypropanoate

CAS Number	193465-77-9
PubChem CID	11021575
IUPAC Name	methyl 3-(3-bromophenyl)-3-hydroxypropanoate
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	1.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

COC(=O)CC(C1=CC(=CC=C1)Br)O

InChI

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

InChIKey

WZZDXVAZEFYJPM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 193465-77-9

CID: 11021575

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
OR1085126-01	1,1-Dimethylethyl 3-bromo-β-hydroxybenzenepropanoate
OR1085733-01	1,1-Dimethylethyl 2-bromo-β-hydroxybenzenepropanoate
OR1095211-01	1,1-Dimethylethyl 4-bromo-β-hydroxybenzenepropanoate
OR1083554-01	Phenylmethyl β-hydroxybenzenepropanoate
OR1096610-01	Ethyl 3,5-dichloro-β-hydroxybenzenepropanoate
PC1012361-01	1,1-Dimethylethyl 3-fluoro-β-hydroxybenzenepropanoate
OR1083588-01	1,1-Dimethylethyl 3-chloro-β-hydroxybenzenepropanoate
OR1096894-01	Ethyl 4- (dimethylamino) -β-hydroxybenzenepropanoate
OR1092750-01	1,1-Dimethylethyl β-hydroxybenzenepropanoate
OR1086069-01	Methyl 4-bromo-3-methyl-α-oxobenzeneacetate

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