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1260759-38-3 | 7-Quinazolinecarbonitrile, 4-chloro-
CAS No: 1260759-38-3 Catalog No: AG000R4K MDL No:MFCD15527393
Product Description
Catalog Number:
AG000R4K
Chemical Name:
7-Quinazolinecarbonitrile, 4-chloro-
CAS Number:
1260759-38-3
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
MDL Number:
MFCD15527393
IUPAC Name:
4-chloroquinazoline-7-carbonitrile
InChI:
InChI=1S/C9H4ClN3/c10-9-7-2-1-6(4-11)3-8(7)12-5-13-9/h1-3,5H
InChI Key:
HPPKVEMLKHNBPV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncnc2Cl
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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