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1231761-54-8

1231761-54-8 | 8-Quinazolinecarbonitrile, 4-chloro-

CAS No: 1231761-54-8 Catalog No: AG000K4C MDL No:MFCD15527394

Product Description

Catalog Number:
AG000K4C
Chemical Name:
8-Quinazolinecarbonitrile, 4-chloro-
CAS Number:
1231761-54-8
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
MDL Number:
MFCD15527394
IUPAC Name:
4-chloroquinazoline-8-carbonitrile
InChI:
InChI=1S/C9H4ClN3/c10-9-7-3-1-2-6(4-11)8(7)12-5-13-9/h1-3,5H
InChI Key:
BWXPTILLWVZEMH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ncnc2Cl

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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