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101258-12-2 | Benzenamine, 3-(1-methyl-1H-tetrazol-5-yl)-
CAS No: 101258-12-2 Catalog No: AG000437 MDL No:MFCD08444507
Product Description
Catalog Number:
AG000437
Chemical Name:
Benzenamine, 3-(1-methyl-1H-tetrazol-5-yl)-
CAS Number:
101258-12-2
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD08444507
IUPAC Name:
3-(1-methyltetrazol-5-yl)aniline
InChI:
InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChI Key:
VBBAMBIEAFCKCS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nnnn1C
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:
0.5
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