(3-Amino-2-bromophenyl) methanol

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CAS Number

1101096-96-1

Purity

98%

Smiles

OCC1=CC=CC(N)=C1Br

Chemical Information

(3-Amino-2-bromophenyl)methanol

CAS Number	1101096-96-1
PubChem CID	69611271
IUPAC Name	(3-amino-2-bromophenyl)methanol
Molecular Formula	C7H8BrNO
Molecular Weight	202.05
XLogP	1
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

C1=CC(=C(C(=C1)N)Br)CO

InChI

InChI=1S/C7H8BrNO/c8-7-5(4-10)2-1-3-6(7)9/h1-3,10H,4,9H2

InChIKey

SPQNBLVOGNPQIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1101096-96-1

CID: 69611271

Formula: C7H8BrNO

MW: 202.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.05
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	200.97893
Monoisotopic Mass	200.97893
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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

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XQA32370	(2-Amino-3-bromophenyl) methanol
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LJB10692	(2-Amino-6-bromophenyl) methanol
CFB96945-01	(5-Amino-2-bromophenyl) methanol
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JCA14247-01	(2-Bromophenyl) (phenyl) methanol
NCA01204-01	(3-Bromophenyl) (phenyl) methanol
IXB31132-01	(3-Bromophenyl) (3-fluorophenyl) methanol
TRC-A638103-500MG	(2-Amino-3-methylphenyl)methanol
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