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88953-03-1 | 4H-1-Benzopyran-4-one, 6-chloro-2-(4-chlorophenyl)-8-methyl-
CAS No: 88953-03-1 Catalog No: AG00470G MDL No:
Product Description
Catalog Number:
AG00470G
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2-(4-chlorophenyl)-8-methyl-
CAS Number:
88953-03-1
Molecular Formula:
C16H10Cl2O2
Molecular Weight:
305.1554
IUPAC Name:
6-chloro-2-(4-chlorophenyl)-8-methylchromen-4-one
InChI:
InChI=1S/C16H10Cl2O2/c1-9-6-12(18)7-13-14(19)8-15(20-16(9)13)10-2-4-11(17)5-3-10/h2-8H,1H3
InChI Key:
BHJVSWBZCCUEKC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(=O)c2c(o1)c(C)cc(c2)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.154g/mol
Monoisotopic Mass:
304.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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