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1231761-53-7 | 5-Quinazolinecarbonitrile, 4-chloro-
CAS No: 1231761-53-7 Catalog No: AG000K4D MDL No:
Product Description
Catalog Number:
AG000K4D
Chemical Name:
5-Quinazolinecarbonitrile, 4-chloro-
CAS Number:
1231761-53-7
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
IUPAC Name:
4-chloroquinazoline-5-carbonitrile
InChI:
InChI=1S/C9H4ClN3/c10-9-8-6(4-11)2-1-3-7(8)12-5-13-9/h1-3,5H
InChI Key:
QFVYLJLOLIVEAG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(Cl)ncn2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.602g/mol
Monoisotopic Mass:
189.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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