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Home > Nitro Compounds > 926199-53-3
926199-53-3 | 5-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
CAS No: 926199-53-3 Catalog No: AG01C0BA MDL No:MFCD09047082
Product Description
Catalog Number:
AG01C0BA
Chemical Name:
5-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
CAS Number:
926199-53-3
Molecular Formula:
C8H5N5O4
Molecular Weight:
235.1564
MDL Number:
MFCD09047082
IUPAC Name:
5-nitro-2-(tetrazol-1-yl)benzoic acid
InChI:
InChI=1S/C8H5N5O4/c14-8(15)6-3-5(13(16)17)1-2-7(6)12-4-9-10-11-12/h1-4H,(H,14,15)
InChI Key:
IFMXTXSCYARSKJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1n1cnnn1)[N+](=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:
235.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.159g/mol
Monoisotopic Mass:
235.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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