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870562-41-7 | 5-(2-bromo-5-fluorophenyl)-2H-1,2,3,4-tetrazole
CAS No: 870562-41-7 Catalog No: AG01EL9W MDL No:MFCD04035678
Product Description
Catalog Number:
AG01EL9W
Chemical Name:
5-(2-bromo-5-fluorophenyl)-2H-1,2,3,4-tetrazole
CAS Number:
870562-41-7
Molecular Formula:
C7H4BrFN4
Molecular Weight:
243.0359
MDL Number:
MFCD04035678
IUPAC Name:
5-(2-bromo-5-fluorophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H4BrFN4/c8-6-2-1-4(9)3-5(6)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:
VPZYFHKSBYJOFN-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)c1n[nH]nn1)Br
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.039g/mol
Monoisotopic Mass:
241.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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