2-Methoxybenzonitrile

CAT: 0926-FM00412-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FM00412-02Size:100 g

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CAS Number

6609-56-9

Synonyms

O-Anisonitrile

MDL Number

MFCD00001783

Smiles

COC1=CC=CC=C1C#N

Molecular Formula

C8H7NO

Molecular Weight

133.15 g/mol

Controlled

Chemical Information

2-Methoxybenzonitrile

CAS Number	6609-56-9
PubChem CID	81086
IUPAC Name	2-methoxybenzonitrile
Molecular Formula	C8H7NO
Molecular Weight	133.15
XLogP	1.5
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	147

SMILES

COC1=CC=CC=C1C#N

InChI

InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3

InChIKey

FSTPMFASNVISBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6609-56-9

CID: 81086

Formula: C8H7NO

MW: 133.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.15
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	133.052763847
Monoisotopic Mass	133.052763847
Topological Polar Surface Area	33 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
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
WAA96251-01	2-Formyl-6-methoxybenzonitrile
FB67414-01	2-Bromo-4-methoxybenzonitrile
FF64148-01	2-Fluoro-5-methoxybenzonitrile
FF36936-01	2-Fluoro-4-methoxybenzonitrile
FC70696-01	2-Chloro-5-methoxybenzonitrile
FA10519-01	2-Amino-6-methoxybenzonitrile
DBA97091-01	2- (Bromomethyl) -4-methoxybenzonitrile
HMB90910-01	4- (2-Hydroxyethoxy) -3-methoxybenzonitrile
FA106364-01	3-Methoxybenzonitrile
FD38508-01	2,3-Difluoro-4-methoxybenzonitrile

Catalog	Name
OR11202-01	2-Methoxybenzonitrile
HY-Z1086-01	4-Chloro-2-methoxybenzonitrile
417817-01	2-Fluoro-4-methoxybenzonitrile
416207-01	2-Bromo-6-methoxybenzonitrile
416073-01	2-Bromo-5-methoxybenzonitrile
232931-01	4-Bromo-2-methoxybenzonitrile
JH436902	2-Hydroxy-3-methoxybenzonitrile
MBS6097604-01	2-Chloro-6-methoxybenzonitrile
sc-226928	5-Bromo-2-methoxybenzonitrile
sc-298435	2-Fluoro-3-methoxybenzonitrile