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Home > Bromides > 1242069-38-0
1242069-38-0 | 1H-Benzotriazole, 5-bromo-1-(phenylmethyl)-
CAS No: 1242069-38-0 Catalog No: AG000LOB MDL No:MFCD28101713
Product Description
Catalog Number:
AG000LOB
Chemical Name:
1H-Benzotriazole, 5-bromo-1-(phenylmethyl)-
CAS Number:
1242069-38-0
Molecular Formula:
C13H10BrN3
Molecular Weight:
288.1426
MDL Number:
MFCD28101713
IUPAC Name:
1-benzyl-5-bromobenzotriazole
InChI:
InChI=1S/C13H10BrN3/c14-11-6-7-13-12(8-11)15-16-17(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
FXNBMLKKSZQBFT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nnn2Cc1ccccc1
Properties
Complexity:
255
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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