Home Nitriles 4-Chloroquinazoline-6-carbonitrile

4-Chloroquinazoline-6-carbonitrile

CAS No.:
150449-97-1
Catalog Number:
AG001MMX
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$546
- +
Product Description
Catalog Number:
AG001MMX
Chemical Name:
4-Chloroquinazoline-6-carbonitrile
CAS Number:
150449-97-1
Molecular Formula:
C9H4ClN3
Molecular Weight:
189.6012
MDL Number:
MFCD10697147
IUPAC Name:
4-chloroquinazoline-6-carbonitrile
InChI:
InChI=1S/C9H4ClN3/c10-9-7-3-6(4-11)1-2-8(7)12-5-13-9/h1-3,5H
InChI Key:
PQJUTOVJNYMGFX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(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  
Properties