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161798-25-0 | 2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-hydroxy-
CAS No: 161798-25-0 Catalog No: AG001VVU MDL No:MFCD01862969
Product Description
Catalog Number:
AG001VVU
Chemical Name:
2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-hydroxy-
CAS Number:
161798-25-0
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
MDL Number:
MFCD01862969
IUPAC Name:
4-(bromomethyl)-7-hydroxychromen-2-one
InChI:
InChI=1S/C10H7BrO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
InChI Key:
XFNVWGFZARBVBT-UHFFFAOYSA-N
SMILES:
BrCc1cc(=O)oc2c1ccc(c2)O
NSC Number:
667229
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.067g/mol
Monoisotopic Mass:
253.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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