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Home > Bromides > 1260901-96-9
1260901-96-9 | 2H-1,2,3-Triazole, 2-(2-bromoethyl)-
CAS No: 1260901-96-9 Catalog No: AG000RL8 MDL No:
Product Description
Catalog Number:
AG000RL8
Chemical Name:
2H-1,2,3-Triazole, 2-(2-bromoethyl)-
CAS Number:
1260901-96-9
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
IUPAC Name:
2-(2-bromoethyl)triazole
InChI:
InChI=1S/C4H6BrN3/c5-1-4-8-6-2-3-7-8/h2-3H,1,4H2
InChI Key:
PHXQLUBRRXUBQK-UHFFFAOYSA-N
SMILES:
BrCCn1nccn1
Properties
Complexity:
62.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.975g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.017g/mol
Monoisotopic Mass:
174.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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