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1261268-87-4 | 2H-Tetrazole, 5-(2-chloro-4-fluorophenyl)-
CAS No: 1261268-87-4 Catalog No: AG000RP4 MDL No:MFCD18375294
Product Description
Catalog Number:
AG000RP4
Chemical Name:
2H-Tetrazole, 5-(2-chloro-4-fluorophenyl)-
CAS Number:
1261268-87-4
Molecular Formula:
C7H4ClFN4
Molecular Weight:
198.5849
MDL Number:
MFCD18375294
IUPAC Name:
5-(2-chloro-4-fluorophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H4ClFN4/c8-6-3-4(9)1-2-5(6)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:
VTBCODRRWFGNPQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)c1n[nH]nn1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.585g/mol
Monoisotopic Mass:
198.011g/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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