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88952-85-6 | 4H-1-Benzopyran-4-one, 6-chloro-2-(3-methoxyphenyl)-7-methyl-
CAS No: 88952-85-6 Catalog No: AG00470N MDL No:
Product Description
Catalog Number:
AG00470N
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2-(3-methoxyphenyl)-7-methyl-
CAS Number:
88952-85-6
Molecular Formula:
C17H13ClO3
Molecular Weight:
300.7363
IUPAC Name:
6-chloro-2-(3-methoxyphenyl)-7-methylchromen-4-one
InChI:
InChI=1S/C17H13ClO3/c1-10-6-17-13(8-14(10)18)15(19)9-16(21-17)11-4-3-5-12(7-11)20-2/h3-9H,1-2H3
InChI Key:
RTYTZRWPPQHBMM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.738g/mol
Monoisotopic Mass:
300.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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