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1201-14-5 | 4H-1-Benzopyran-4-one, 6-chloro-3-methyl-
CAS No: 1201-14-5 Catalog No: AG000QB8 MDL No:
Product Description
Catalog Number:
AG000QB8
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-3-methyl-
CAS Number:
1201-14-5
Molecular Formula:
C10H7ClO2
Molecular Weight:
194.6144
IUPAC Name:
6-chloro-3-methylchromen-4-one
InChI:
InChI=1S/C10H7ClO2/c1-6-5-13-9-3-2-7(11)4-8(9)10(6)12/h2-5H,1H3
InChI Key:
YVHODNUFBQXSFA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(co2)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.614g/mol
Monoisotopic Mass:
194.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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