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1776-09-6 | 4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-
CAS No: 1776-09-6 Catalog No: AG0025F4 MDL No:MFCD11109091
Product Description
Catalog Number:
AG0025F4
Chemical Name:
4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-
CAS Number:
1776-09-6
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD11109091
IUPAC Name:
3-bromo-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7BrO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2
InChI Key:
FTRRZJIVFMSIJJ-UHFFFAOYSA-N
SMILES:
BrC1COc2c(C1=O)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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