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1363382-25-5 | 1H-Indazole-3-carboxylic acid, 1-methyl-5-nitro-
CAS No: 1363382-25-5 Catalog No: AG0011Q3 MDL No:MFCD20924365
Product Description
Catalog Number:
AG0011Q3
Chemical Name:
1H-Indazole-3-carboxylic acid, 1-methyl-5-nitro-
CAS Number:
1363382-25-5
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD20924365
IUPAC Name:
1-methyl-5-nitroindazole-3-carboxylic acid
InChI:
InChI=1S/C9H7N3O4/c1-11-7-3-2-5(12(15)16)4-6(7)8(10-11)9(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
LTGCETNXDDEADX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(nn2C)C(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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