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177595-28-7 | Benzenemethanamine, 4-(2H-tetrazol-5-yl)-, hydrochloride (1:1)
CAS No: 177595-28-7 Catalog No: AG0025EO MDL No:MFCD28399426
Product Description
Catalog Number:
AG0025EO
Chemical Name:
Benzenemethanamine, 4-(2H-tetrazol-5-yl)-, hydrochloride (1:1)
CAS Number:
177595-28-7
Molecular Formula:
C8H10ClN5
Molecular Weight:
211.6515
MDL Number:
MFCD28399426
IUPAC Name:
[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H
InChI Key:
AYGATWAUTLJNTK-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)c1n[nH]nn1.Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.653g/mol
Monoisotopic Mass:
211.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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