2- (3-Bromophenyl) propan-1-ol

CAT: 0926-GDA31068-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GDA31068-01Size:50 mg

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CAS Number

81310-68-1

MDL Number

MFCD18908977

Smiles

CC (CO) C1=CC (=CC=C1) Br

Molecular Formula

C9H11BrO

Molecular Weight

215.09 g/mol

Controlled

Chemical Information

2-(3-Bromophenyl)propan-1-ol

CAS Number	81310-68-1
PubChem CID	12802909
IUPAC Name	2-(3-bromophenyl)propan-1-ol
Molecular Formula	C9H11BrO
Molecular Weight	215.09
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

CC(CO)C1=CC(=CC=C1)Br

InChI

InChI=1S/C9H11BrO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7,11H,6H2,1H3

InChIKey

CNKJJFVUWHGEHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81310-68-1

CID: 12802909

Formula: C9H11BrO

MW: 215.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.09
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	213.99933
Monoisotopic Mass	213.99933
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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
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GDA31074-01	2- (4-Bromophenyl) propan-1-ol
TEC65337-01	3-Amino-2- (4-bromophenyl) propan-1-ol
EWB90094-01	2-{[ (3-Bromophenyl) methyl]amino}propan-1-ol
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DXC60528-01	2- (2-Amino-3-bromophenyl) propan-2-ol
SGB87612-01	2-Amino-1- (4-bromophenyl) propan-1-ol

Catalog	Name
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OR1041873-01	2- (4-Bromophenyl) propan-1-ol
OR1057614-01	1- (2-Bromophenyl) propan-2-ol
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