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30482-87-2 | Benzonitrile, 2,6-dichloro-4-methoxy-
CAS No: 30482-87-2 Catalog No: AG0030AF MDL No:
Product Description
Catalog Number:
AG0030AF
Chemical Name:
Benzonitrile, 2,6-dichloro-4-methoxy-
CAS Number:
30482-87-2
Molecular Formula:
C8H5Cl2NO
Molecular Weight:
202.0374
IUPAC Name:
2,6-dichloro-4-methoxybenzonitrile
InChI:
InChI=1S/C8H5Cl2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3
InChI Key:
MTKOPGRUFMDVSS-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c(c1)Cl)C#N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.034g/mol
Monoisotopic Mass:
200.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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