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116933-01-8 | 1H-1,2,3-Triazole, 4-bromo-1-phenyl-
CAS No: 116933-01-8 Catalog No: AG000DEJ MDL No:
Product Description
Catalog Number:
AG000DEJ
Chemical Name:
1H-1,2,3-Triazole, 4-bromo-1-phenyl-
CAS Number:
116933-01-8
Molecular Formula:
C8H6BrN3
Molecular Weight:
224.0573
IUPAC Name:
4-bromo-1-phenyltriazole
InChI:
InChI=1S/C8H6BrN3/c9-8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
IGYBJQSJWJEAFW-UHFFFAOYSA-N
SMILES:
Brc1nnn(c1)c1ccccc1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.061g/mol
Monoisotopic Mass:
222.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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