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1245227-21-7 | 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(2-nitrophenyl)-, ethyl ester
CAS No: 1245227-21-7 Catalog No: AG000M5C MDL No:MFCD17206212
Product Description
Catalog Number:
AG000M5C
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(2-nitrophenyl)-, ethyl ester
CAS Number:
1245227-21-7
Molecular Formula:
C12H10BrN3O4
Molecular Weight:
340.1295
MDL Number:
MFCD17206212
IUPAC Name:
ethyl 5-bromo-1-(2-nitrophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H10BrN3O4/c1-2-20-12(17)8-7-14-15(11(8)13)9-5-3-4-6-10(9)16(18)19/h3-7H,2H2,1H3
InChI Key:
XDASBKWQRAFDEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Br)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.985g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.133g/mol
Monoisotopic Mass:
338.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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