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127667-00-9 | Benzonitrile, 2-chloro-5-methoxy-
CAS No: 127667-00-9 Catalog No: AG000X9E MDL No:MFCD08061919
Product Description
Catalog Number:
AG000X9E
Chemical Name:
Benzonitrile, 2-chloro-5-methoxy-
CAS Number:
127667-00-9
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD08061919
IUPAC Name:
2-chloro-5-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChI Key:
XRFLIOTUXVHNIB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C#N)Cl
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
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