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Home > Bromides > 1402144-45-9
1402144-45-9 | Benzo[b]thiophene-2-carboxylic acid, 3-bromo-4-methyl-
CAS No: 1402144-45-9 Catalog No: AG001C5A MDL No:
Product Description
Catalog Number:
AG001C5A
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-bromo-4-methyl-
CAS Number:
1402144-45-9
Molecular Formula:
C10H7BrO2S
Molecular Weight:
271.1304
IUPAC Name:
3-bromo-4-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H7BrO2S/c1-5-3-2-4-6-7(5)8(11)9(14-6)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
IBURJTFTBSXURE-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1Br)c(C)ccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.128g/mol
Monoisotopic Mass:
269.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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