2-Bromo-4-methoxybenzonitrile

CAT: 0926-FB67414-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FB67414-01Size:10 g

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CAS Number

140860-51-1

MDL Number

MFCD09056764

Smiles

COC1=CC (=C (C=C1) C#N) Br

Molecular Formula

C8H6BrNO

Molecular Weight

212.04 g/mol

Controlled

Chemical Information

2-Bromo-4-methoxybenzonitrile

CAS Number	140860-51-1
PubChem CID	11218092
IUPAC Name	2-bromo-4-methoxybenzonitrile
Molecular Formula	C8H6BrNO
Molecular Weight	212.04
XLogP	2.3
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	174

SMILES

COC1=CC(=C(C=C1)C#N)Br

InChI

InChI=1S/C8H6BrNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3

InChIKey

IZFNZTNQBIHNCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140860-51-1

CID: 11218092

Formula: C8H6BrNO

MW: 212.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.04
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	210.96328
Monoisotopic Mass	210.96328
Topological Polar Surface Area	33 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174
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

Catalog	Name
HTA05115-01	4-Bromo-2-fluoro-6-methoxybenzonitrile
EFC36631-01	5-Bromo-4-fluoro-2-methoxybenzonitrile
YWB71305-01	2-Amino-5-bromo-4-methoxybenzonitrile
HIB67446-01	2-Bromo-4- (2-hydroxyethoxy) -5-methoxybenzonitrile
QVA83152	3-Bromo-5-ethoxy-4-methoxybenzonitrile
JDA22429-01	4-Hydroxy-2-methoxybenzonitrile
HHA28770-01	4- (Aminomethyl) -2-methoxybenzonitrile
DBA97091-01	2- (Bromomethyl) -4-methoxybenzonitrile
FF36936-01	2-Fluoro-4-methoxybenzonitrile
HMB90910-01	4- (2-Hydroxyethoxy) -3-methoxybenzonitrile

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232931-01	4-Bromo-2-methoxybenzonitrile
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PC1005312-01	2-Bromo-4-fluoro-5-methoxybenzonitrile
PC1024241-01	3-Bromo-2-fluoro-4-methoxybenzonitrile
PC48591-01	4-Bromo-2-fluoro-3-methoxybenzonitrile
OR1036934-01	5-Amino-4-bromo-2-methoxybenzonitrile
OR1088407-01	2-bromo-3-chloro-4-methoxybenzonitrile