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85010-46-4 | 4-(4-FLUOROPHENYL)-3-METHYL-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-4-OL
CAS No: 85010-46-4 Catalog No: AG004TEE MDL No:
Product Description
Catalog Number:
AG004TEE
Chemical Name:
4-(4-FLUOROPHENYL)-3-METHYL-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-4-OL
CAS Number:
85010-46-4
Molecular Formula:
C14H12FN3O
Molecular Weight:
257.2630
IUPAC Name:
4-(4-fluorophenyl)-3-methyl-1,2,3-benzotriazin-4-ol
InChI:
InChI=1S/C14H12FN3O/c1-18-14(19,10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)16-17-18/h2-9,19H,1H3
InChI Key:
QKEIEQJDNYDEOT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1(O)N(C)N=Nc2c1cccc2
NSC Number:
363572
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.268g/mol
Monoisotopic Mass:
257.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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