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1261759-41-4 | Benzonitrile, 2-chloro-5-formyl-
CAS No: 1261759-41-4 Catalog No: AG000RZO MDL No:MFCD18392413
Product Description
Catalog Number:
AG000RZO
Chemical Name:
Benzonitrile, 2-chloro-5-formyl-
CAS Number:
1261759-41-4
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD18392413
IUPAC Name:
2-chloro-5-formylbenzonitrile
InChI:
InChI=1S/C8H4ClNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
InChI Key:
YNXDZOKTZHHBLM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C#N)Cl
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:
1.5
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