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190775-65-6 | 2-Benzofurancarboxylic acid, 7-bromo-5-chloro-
CAS No: 190775-65-6 Catalog No: AG002ETD MDL No:MFCD04208738
Product Description
Catalog Number:
AG002ETD
Chemical Name:
2-Benzofurancarboxylic acid, 7-bromo-5-chloro-
CAS Number:
190775-65-6
Molecular Formula:
C9H4BrClO3
Molecular Weight:
275.4833
MDL Number:
MFCD04208738
IUPAC Name:
7-bromo-5-chloro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H4BrClO3/c10-6-3-5(11)1-4-2-7(9(12)13)14-8(4)6/h1-3H,(H,12,13)
InChI Key:
MDSRFGXNBDNKHI-UHFFFAOYSA-N
SMILES:
Clc1cc2cc(oc2c(c1)Br)C(=O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.903g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.482g/mol
Monoisotopic Mass:
273.903g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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