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88695-08-3 | 2H-1,4-Benzodiazepin-2-one, 5-(4-fluorophenyl)-1,3-dihydro-
CAS No: 88695-08-3 Catalog No: AG0046M6 MDL No:
Product Description
Catalog Number:
AG0046M6
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 5-(4-fluorophenyl)-1,3-dihydro-
CAS Number:
88695-08-3
Molecular Formula:
C15H11FN2O
Molecular Weight:
254.2590
IUPAC Name:
5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H11FN2O/c16-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)18-14(19)9-17-15/h1-8H,9H2,(H,18,19)
InChI Key:
DJIPPUQNVXNWKP-UHFFFAOYSA-N
SMILES:
O=C1CN=C(c2c(N1)cccc2)c1ccc(cc1)F
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.264g/mol
Monoisotopic Mass:
254.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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