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160194-26-3 | Benzenamine, 2-iodo-4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 160194-26-3 Catalog No: AG001RRA MDL No:
Product Description
Catalog Number:
AG001RRA
Chemical Name:
Benzenamine, 2-iodo-4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
160194-26-3
Molecular Formula:
C9H9IN4
Molecular Weight:
300.0990
IUPAC Name:
2-iodo-4-(1,2,4-triazol-1-ylmethyl)aniline
InChI:
InChI=1S/C9H9IN4/c10-8-3-7(1-2-9(8)11)4-14-6-12-5-13-14/h1-3,5-6H,4,11H2
InChI Key:
MZMFYNKMWSQZGJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1I)Cn1cncn1
EC Number:
419-540-7
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.103g/mol
Monoisotopic Mass:
299.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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