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Home > Fluorides > 203070-37-5
203070-37-5 | 1-(4-Fluorobenzoyl)-1H-1,2,3-benzotriazole
CAS No: 203070-37-5 Catalog No: AG01EUHU MDL No:
Product Description
Catalog Number:
AG01EUHU
Chemical Name:
1-(4-Fluorobenzoyl)-1H-1,2,3-benzotriazole
CAS Number:
203070-37-5
Molecular Formula:
C13H8FN3O
Molecular Weight:
241.2205
IUPAC Name:
benzotriazol-1-yl-(4-fluorophenyl)methanone
InChI:
InChI=1S/C13H8FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
InChI Key:
HQQCCQFFYVPHGB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)n1nnc2c1cccc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.225g/mol
Monoisotopic Mass:
241.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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