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69932-31-6 | 4H-1-Benzopyran-4-one, 3-bromo-2-methyl-
CAS No: 69932-31-6 Catalog No: AG005H1J MDL No:
Product Description
Catalog Number:
AG005H1J
Chemical Name:
4H-1-Benzopyran-4-one, 3-bromo-2-methyl-
CAS Number:
69932-31-6
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
IUPAC Name:
3-bromo-2-methylchromen-4-one
InChI:
InChI=1S/C10H7BrO2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChI Key:
FDWRTQHFRUGBHY-UHFFFAOYSA-N
SMILES:
Cc1oc2ccccc2c(=O)c1Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.068g/mol
Monoisotopic Mass:
237.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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