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189831-95-6 | 7H-Furo[3,2-g][1]benzopyran-7-one, 2-bromo-9-methyl-
CAS No: 189831-95-6 Catalog No: AG002E1N MDL No:
Product Description
Catalog Number:
AG002E1N
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 2-bromo-9-methyl-
CAS Number:
189831-95-6
Molecular Formula:
C12H7BrO3
Molecular Weight:
279.0862
IUPAC Name:
2-bromo-9-methylfuro[3,2-g]chromen-7-one
InChI:
InChI=1S/C12H7BrO3/c1-6-11-7(2-3-10(14)16-11)4-8-5-9(13)15-12(6)8/h2-5H,1H3
InChI Key:
MLLVXPKUZABOBR-UHFFFAOYSA-N
SMILES:
Brc1cc2c(o1)c(C)c1c(c2)ccc(=O)o1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.958g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.089g/mol
Monoisotopic Mass:
277.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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