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101079-64-5 | 2-Thiophenecarboxylic acid, 5-bromo-3-nitro-
CAS No: 101079-64-5 Catalog No: AG0003NW MDL No:MFCD09834014
Product Description
Catalog Number:
AG0003NW
Chemical Name:
2-Thiophenecarboxylic acid, 5-bromo-3-nitro-
CAS Number:
101079-64-5
Molecular Formula:
C5H2BrNO4S
Molecular Weight:
252.0427
MDL Number:
MFCD09834014
IUPAC Name:
5-bromo-3-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H2BrNO4S/c6-3-1-2(7(10)11)4(12-3)5(8)9/h1H,(H,8,9)
InChI Key:
HJCDDONOCCNMLW-UHFFFAOYSA-N
SMILES:
Brc1sc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.889g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.038g/mol
Monoisotopic Mass:
250.889g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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