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162012-67-1 | 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-
CAS No: 162012-67-1 Catalog No: AG001SMO MDL No:MFCD09998825
Product Description
Catalog Number:
AG001SMO
Chemical Name:
4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-
CAS Number:
162012-67-1
Molecular Formula:
C14H7ClF2N4O2
Molecular Weight:
336.6808
MDL Number:
MFCD09998825
IUPAC Name:
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
InChI:
InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChI Key:
CJOJDNRJDBWZKM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)Nc1ncnc2c1cc([N+](=O)[O-])c(c2)F
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.683g/mol
Monoisotopic Mass:
336.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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