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Home > Bromides > 1381944-47-3
1381944-47-3 | 1H-Benzotriazole, 5-bromo-6,7-difluoro-
CAS No: 1381944-47-3 Catalog No: AG00186X MDL No:MFCD22375038
Product Description
Catalog Number:
AG00186X
Chemical Name:
1H-Benzotriazole, 5-bromo-6,7-difluoro-
CAS Number:
1381944-47-3
Molecular Formula:
C6H2BrF2N3
Molecular Weight:
234.0010
MDL Number:
MFCD22375038
IUPAC Name:
6-bromo-4,5-difluoro-2H-benzotriazole
InChI:
InChI=1S/C6H2BrF2N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12)
InChI Key:
CYLZMYGHNUTSNT-UHFFFAOYSA-N
SMILES:
Brc1cc2nn[nH]c2c(c1F)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.004g/mol
Monoisotopic Mass:
232.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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