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1256561-76-8 | Benzonitrile, 3-chloro-2-formyl-
CAS No: 1256561-76-8 Catalog No: AG000O9K MDL No:MFCD16251143
Product Description
Catalog Number:
AG000O9K
Chemical Name:
Benzonitrile, 3-chloro-2-formyl-
CAS Number:
1256561-76-8
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD16251143
IUPAC Name:
3-chloro-2-formylbenzonitrile
InChI:
InChI=1S/C8H4ClNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H
InChI Key:
XUBCIKLKCYMPBA-UHFFFAOYSA-N
SMILES:
O=Cc1c(C#N)cccc1Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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