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88952-76-5 | 4H-1-Benzopyran-4-one, 6-chloro-2-(2-methylphenyl)-
CAS No: 88952-76-5 Catalog No: AG00477Y MDL No:
Product Description
Catalog Number:
AG00477Y
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2-(2-methylphenyl)-
CAS Number:
88952-76-5
Molecular Formula:
C16H11ClO2
Molecular Weight:
270.7103
IUPAC Name:
6-chloro-2-(2-methylphenyl)chromen-4-one
InChI:
InChI=1S/C16H11ClO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-9H,1H3
InChI Key:
ZUXOVBMNMPQZSP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)cc(o2)c1ccccc1C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.712g/mol
Monoisotopic Mass:
270.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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