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Home > Bromides > 1330750-48-5
1330750-48-5 | 1H-Benzotriazole, 5-bromo-6-fluoro-1-methyl-
CAS No: 1330750-48-5 Catalog No: AG00147J MDL No:MFCD19981546
Product Description
Catalog Number:
AG00147J
Chemical Name:
1H-Benzotriazole, 5-bromo-6-fluoro-1-methyl-
CAS Number:
1330750-48-5
Molecular Formula:
C7H5BrFN3
Molecular Weight:
230.0371
MDL Number:
MFCD19981546
IUPAC Name:
5-bromo-6-fluoro-1-methylbenzotriazole
InChI:
InChI=1S/C7H5BrFN3/c1-12-7-3-5(9)4(8)2-6(7)10-11-12/h2-3H,1H3
InChI Key:
KCXBGSDYACQLLB-UHFFFAOYSA-N
SMILES:
Brc1cc2nnn(c2cc1F)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.04g/mol
Monoisotopic Mass:
228.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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