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113850-96-7 | 4H-1-Benzopyran-2-carboxylic acid, 7-bromo-4-oxo-
CAS No: 113850-96-7 Catalog No: AG0009WQ MDL No:MFCD08690667
Product Description
Catalog Number:
AG0009WQ
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 7-bromo-4-oxo-
CAS Number:
113850-96-7
Molecular Formula:
C10H5BrO4
Molecular Weight:
269.0483
MDL Number:
MFCD08690667
IUPAC Name:
7-bromo-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C10H5BrO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14)
InChI Key:
VACMFRPTBQYGGH-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)oc(cc2=O)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.937g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.05g/mol
Monoisotopic Mass:
267.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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