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157870-18-3 | Benzonitrile, 3,5-dichloro-4-formyl-
CAS No: 157870-18-3 Catalog No: AG001PRP MDL No:MFCD16251144
Product Description
Catalog Number:
AG001PRP
Chemical Name:
Benzonitrile, 3,5-dichloro-4-formyl-
CAS Number:
157870-18-3
Molecular Formula:
C8H3Cl2NO
Molecular Weight:
200.0215
MDL Number:
MFCD16251144
IUPAC Name:
3,5-dichloro-4-formylbenzonitrile
InChI:
InChI=1S/C8H3Cl2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H
InChI Key:
QKJHOBOTYMPIKQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)cc(cc1Cl)C#N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.018g/mol
Monoisotopic Mass:
198.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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