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1241915-17-2 | Quinazoline, 4-chloro-2-[difluoro(4-fluorophenyl)methyl]-7-methyl-
CAS No: 1241915-17-2 Catalog No: AG000LNG MDL No:
Product Description
Catalog Number:
AG000LNG
Chemical Name:
Quinazoline, 4-chloro-2-[difluoro(4-fluorophenyl)methyl]-7-methyl-
CAS Number:
1241915-17-2
Molecular Formula:
C16H10ClF3N2
Molecular Weight:
322.7122
IUPAC Name:
4-chloro-2-[difluoro-(4-fluorophenyl)methyl]-7-methylquinazoline
InChI:
InChI=1S/C16H10ClF3N2/c1-9-2-7-12-13(8-9)21-15(22-14(12)17)16(19,20)10-3-5-11(18)6-4-10/h2-8H,1H3
InChI Key:
BLXNTRYIWFVCTA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1nc(Cl)c2c(n1)cc(cc2)C)(F)F
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.715g/mol
Monoisotopic Mass:
322.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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