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1272356-70-3 | 4(3H)-Quinazolinone, 5-chloro-2-(trifluoromethyl)-
CAS No: 1272356-70-3 Catalog No: AG000WST MDL No:
Product Description
Catalog Number:
AG000WST
Chemical Name:
4(3H)-Quinazolinone, 5-chloro-2-(trifluoromethyl)-
CAS Number:
1272356-70-3
Molecular Formula:
C9H4ClF3N2O
Molecular Weight:
248.5891
IUPAC Name:
5-chloro-2-(trifluoromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H4ClF3N2O/c10-4-2-1-3-5-6(4)7(16)15-8(14-5)9(11,12)13/h1-3H,(H,14,15,16)
InChI Key:
CJRCJEYGLVRLCM-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1c(=O)[nH]c(n2)C(F)(F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.589g/mol
Monoisotopic Mass:
247.996g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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