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14213-13-9 | Benzenamine, 4-(1H-tetrazol-1-yl)-
CAS No: 14213-13-9 Catalog No: AG001HUB MDL No:MFCD02746184
Product Description
Catalog Number:
AG001HUB
Chemical Name:
Benzenamine, 4-(1H-tetrazol-1-yl)-
CAS Number:
14213-13-9
Molecular Formula:
C7H7N5
Molecular Weight:
161.1640
MDL Number:
MFCD02746184
IUPAC Name:
4-(tetrazol-1-yl)aniline
InChI:
InChI=1S/C7H7N5/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,8H2
InChI Key:
JRRAUWWVBVECPY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)n1cnnn1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.168g/mol
Monoisotopic Mass:
161.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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