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142074-78-0 | 2H-1-Benzothiopyran-2-one, 3-bromo-4-methyl-
CAS No: 142074-78-0 Catalog No: AG001HP7 MDL No:
Product Description
Catalog Number:
AG001HP7
Chemical Name:
2H-1-Benzothiopyran-2-one, 3-bromo-4-methyl-
CAS Number:
142074-78-0
Molecular Formula:
C10H7BrOS
Molecular Weight:
255.1310
IUPAC Name:
3-bromo-4-methylthiochromen-2-one
InChI:
InChI=1S/C10H7BrOS/c1-6-7-4-2-3-5-8(7)13-10(12)9(6)11/h2-5H,1H3
InChI Key:
ZEAZLEIIPLNKMK-UHFFFAOYSA-N
SMILES:
O=c1sc2ccccc2c(c1Br)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.129g/mol
Monoisotopic Mass:
253.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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