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139395-82-7 | 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-(bromomethyl)-4-methyl-
CAS No: 139395-82-7 Catalog No: AG001AWU MDL No:
Product Description
Catalog Number:
AG001AWU
Chemical Name:
2H-Furo[2,3-h]-1-benzopyran-2-one, 8-(bromomethyl)-4-methyl-
CAS Number:
139395-82-7
Molecular Formula:
C13H9BrO3
Molecular Weight:
293.1128
IUPAC Name:
8-(bromomethyl)-4-methylfuro[2,3-h]chromen-2-one
InChI:
InChI=1S/C13H9BrO3/c1-7-4-12(15)17-13-9(7)2-3-11-10(13)5-8(6-14)16-11/h2-5H,6H2,1H3
InChI Key:
MJBQOIZNCDJDLW-UHFFFAOYSA-N
SMILES:
BrCc1oc2c(c1)c1oc(=O)cc(c1cc2)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.116g/mol
Monoisotopic Mass:
291.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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