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828265-70-9 | 2H-1-Benzopyran-2-one, 8-(bromomethyl)-7-methoxy-
CAS No: 828265-70-9 Catalog No: AG004XL6 MDL No:
Product Description
Catalog Number:
AG004XL6
Chemical Name:
2H-1-Benzopyran-2-one, 8-(bromomethyl)-7-methoxy-
CAS Number:
828265-70-9
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
IUPAC Name:
8-(bromomethyl)-7-methoxychromen-2-one
InChI:
InChI=1S/C11H9BrO3/c1-14-9-4-2-7-3-5-10(13)15-11(7)8(9)6-12/h2-5H,6H2,1H3
InChI Key:
MVUIZNCWWNDFOD-UHFFFAOYSA-N
SMILES:
BrCc1c(OC)ccc2c1oc(=O)cc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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