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872473-26-2 | 2-AMINO-4-(1H-TETRAZOL-5-YL)BENZOIC ACID
CAS No: 872473-26-2 Catalog No: AG004R29 MDL No:MFCD05625727
Product Description
Catalog Number:
AG004R29
Chemical Name:
2-AMINO-4-(1H-TETRAZOL-5-YL)BENZOIC ACID
CAS Number:
872473-26-2
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
MDL Number:
MFCD05625727
IUPAC Name:
2-amino-4-(2H-tetrazol-5-yl)benzoic acid
InChI:
InChI=1S/C8H7N5O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,9H2,(H,14,15)(H,10,11,12,13)
InChI Key:
BVKCZFZLDIFHRB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1N)c1nnn[nH]1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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