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73006-69-6 | 1-(2-Bromoethyl)-1H-1,2,3-benzotriazole
CAS No: 73006-69-6 Catalog No: AG01EX7V MDL No:MFCD00957148
Product Description
Catalog Number:
AG01EX7V
Chemical Name:
1-(2-Bromoethyl)-1H-1,2,3-benzotriazole
CAS Number:
73006-69-6
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
MDL Number:
MFCD00957148
IUPAC Name:
1-(2-bromoethyl)benzotriazole
InChI:
InChI=1S/C8H8BrN3/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6H2
InChI Key:
PTYVNIAAGXTKBQ-UHFFFAOYSA-N
SMILES:
BrCCn1nnc2c1cccc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.077g/mol
Monoisotopic Mass:
224.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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