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1327166-22-2 | Quinazoline, 4-chloro-6-(3-methylphenyl)-
CAS No: 1327166-22-2 Catalog No: AG00111B MDL No:
Product Description
Catalog Number:
AG00111B
Chemical Name:
Quinazoline, 4-chloro-6-(3-methylphenyl)-
CAS Number:
1327166-22-2
Molecular Formula:
C15H11ClN2
Molecular Weight:
254.7142
IUPAC Name:
4-chloro-6-(3-methylphenyl)quinazoline
InChI:
InChI=1S/C15H11ClN2/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)15(16)18-9-17-14/h2-9H,1H3
InChI Key:
IFOMESQLHCZZSH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1ccc2c(c1)c(Cl)ncn2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.717g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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