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1141669-77-3 | 2-Thiazolecarboxylic acid, 4-(2-nitrophenyl)-
CAS No: 1141669-77-3 Catalog No: AG000APL MDL No:MFCD11656831
Product Description
Catalog Number:
AG000APL
Chemical Name:
2-Thiazolecarboxylic acid, 4-(2-nitrophenyl)-
CAS Number:
1141669-77-3
Molecular Formula:
C10H6N2O4S
Molecular Weight:
250.2306
MDL Number:
MFCD11656831
IUPAC Name:
4-(2-nitrophenyl)-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C10H6N2O4S/c13-10(14)9-11-7(5-17-9)6-3-1-2-4-8(6)12(15)16/h1-5H,(H,13,14)
InChI Key:
UVBAFOQPYRZYCR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1csc(n1)C(=O)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.228g/mol
Monoisotopic Mass:
250.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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