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828265-72-1 | 2H-1-Benzopyran-2-one, 4-(bromomethyl)-3-phenyl-
CAS No: 828265-72-1 Catalog No: AG0055UB MDL No:
Product Description
Catalog Number:
AG0055UB
Chemical Name:
2H-1-Benzopyran-2-one, 4-(bromomethyl)-3-phenyl-
CAS Number:
828265-72-1
Molecular Formula:
C16H11BrO2
Molecular Weight:
315.1613
IUPAC Name:
4-(bromomethyl)-3-phenylchromen-2-one
InChI:
InChI=1S/C16H11BrO2/c17-10-13-12-8-4-5-9-14(12)19-16(18)15(13)11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
HBKIGWWOQOGZHV-UHFFFAOYSA-N
SMILES:
BrCc1c(c2ccccc2)c(=O)oc2c1cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.994g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.166g/mol
Monoisotopic Mass:
313.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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