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265652-39-9 | 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-
CAS No: 265652-39-9 Catalog No: AG002TPK MDL No:MFCD03789231
Product Description
Catalog Number:
AG002TPK
Chemical Name:
2-Thiophenecarboxylic acid, 4-bromo-3-methyl-
CAS Number:
265652-39-9
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD03789231
IUPAC Name:
4-bromo-3-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5BrO2S/c1-3-4(7)2-10-5(3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
TUVDPNVBUMLEHW-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1C)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.919g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.068g/mol
Monoisotopic Mass:
219.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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