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305833-88-9 | 4(1H)-Quinazolinone, 6-chloro-2-(cyclohexylamino)-
CAS No: 305833-88-9 Catalog No: AG0030LA MDL No:
Product Description
Catalog Number:
AG0030LA
Chemical Name:
4(1H)-Quinazolinone, 6-chloro-2-(cyclohexylamino)-
CAS Number:
305833-88-9
Molecular Formula:
C14H16ClN3O
Molecular Weight:
277.7493
IUPAC Name:
6-chloro-2-(cyclohexylamino)-3H-quinazolin-4-one
InChI:
InChI=1S/C14H16ClN3O/c15-9-6-7-12-11(8-9)13(19)18-14(17-12)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18,19)
InChI Key:
JRLLPDUPIDQYGM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)nc([nH]2)NC1CCCCC1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.752g/mol
Monoisotopic Mass:
277.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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