Home Nitriles 2-Chloro-3-methoxybenzonitrile

2-Chloro-3-methoxybenzonitrile

CAS No.:
853331-52-9
Catalog Number:
AG003GVT
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
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Product Description
Catalog Number:
AG003GVT
Chemical Name:
2-Chloro-3-methoxybenzonitrile
CAS Number:
853331-52-9
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD07784400
IUPAC Name:
2-chloro-3-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
InChI Key:
QZCKPEQQNFBXHZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1Cl)C#N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties