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114934-51-9 | Benzenamine, 3-(2-methyl-2H-tetrazol-5-yl)-
CAS No: 114934-51-9 Catalog No: AG000FGI MDL No:MFCD11052421
Product Description
Catalog Number:
AG000FGI
Chemical Name:
Benzenamine, 3-(2-methyl-2H-tetrazol-5-yl)-
CAS Number:
114934-51-9
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD11052421
IUPAC Name:
3-(2-methyltetrazol-5-yl)aniline
InChI:
InChI=1S/C8H9N5/c1-13-11-8(10-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChI Key:
MQGHNXCWKDXJLP-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nnn(n1)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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