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73798-62-6 | 1-[(4-Bromophenyl)methyl]-1H-1,2,3-benzotriazole
CAS No: 73798-62-6 Catalog No: AG01EX8Q MDL No:
Product Description
Catalog Number:
AG01EX8Q
Chemical Name:
1-[(4-Bromophenyl)methyl]-1H-1,2,3-benzotriazole
CAS Number:
73798-62-6
Molecular Formula:
C13H10BrN3
Molecular Weight:
288.1426
IUPAC Name:
1-[(4-bromophenyl)methyl]benzotriazole
InChI:
InChI=1S/C13H10BrN3/c14-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2
InChI Key:
BABYIHLTGMOEQT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cn1nnc2c1cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.148g/mol
Monoisotopic Mass:
287.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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