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119413-61-5 | Benzonitrile, 2-chloro-3,4-dimethoxy-
CAS No: 119413-61-5 Catalog No: AG000IQZ MDL No:MFCD00173893
Product Description
Catalog Number:
AG000IQZ
Chemical Name:
Benzonitrile, 2-chloro-3,4-dimethoxy-
CAS Number:
119413-61-5
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
MDL Number:
MFCD00173893
IUPAC Name:
2-chloro-3,4-dimethoxybenzonitrile
InChI:
InChI=1S/C9H8ClNO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,1-2H3
InChI Key:
DVVLTABTKVOGCS-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1Cl)C#N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.618g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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