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139776-54-8 | Quinazoline, 2-chloro-4-(phenylthio)-
CAS No: 139776-54-8 Catalog No: AG001BPB MDL No:
Product Description
Catalog Number:
AG001BPB
Chemical Name:
Quinazoline, 2-chloro-4-(phenylthio)-
CAS Number:
139776-54-8
Molecular Formula:
C14H9ClN2S
Molecular Weight:
272.7527
IUPAC Name:
2-chloro-4-phenylsulfanylquinazoline
InChI:
InChI=1S/C14H9ClN2S/c15-14-16-12-9-5-4-8-11(12)13(17-14)18-10-6-2-1-3-7-10/h1-9H
InChI Key:
NZLDGRTZUMDQHB-UHFFFAOYSA-N
SMILES:
Clc1nc(Sc2ccccc2)c2c(n1)cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.75g/mol
Monoisotopic Mass:
272.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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