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

CAT: 0926-ZCA53285-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-ZCA53285-01Size:250 mg

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CAS Number

74532-85-7

MDL Number

MFCD16083358

Smiles

CCC (C1=CC=CC=C1Br) O

Molecular Formula

C9H11BrO

Molecular Weight

215.09 g/mol

Controlled

Chemical Information

1-(2-Bromophenyl)-1-propanol

CAS Number	74532-85-7
PubChem CID	13444279
IUPAC Name	1-(2-bromophenyl)propan-1-ol
Molecular Formula	C9H11BrO
Molecular Weight	215.09
XLogP	2.7
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

CCC(C1=CC=CC=C1Br)O

InChI

InChI=1S/C9H11BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3

InChIKey

SMYHFDLFOKKDOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74532-85-7

CID: 13444279

Formula: C9H11BrO

MW: 215.09

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	215.09
XLogP3	2.7
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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HAA07369	2- (2-Bromophenyl) propan-2-ol
SGB87612-01	2-Amino-1- (4-bromophenyl) propan-1-ol
QCA53754	3- (3-Bromophenyl) propan-1-ol
DXC59285-01	1-Amino-2- (2-bromophenyl) propan-2-ol hydrochloride
TEC65337-01	3-Amino-2- (4-bromophenyl) propan-1-ol
EWB90094-01	2-{[ (3-Bromophenyl) methyl]amino}propan-1-ol
WGA91183-01	3-Amino-3- (2-bromophenyl) propan-1-ol