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88145-29-3 | 5H-2,3-Benzodiazepine, 1-(4-fluorophenyl)-7,8-dimethoxy-4-methyl-
CAS No: 88145-29-3 Catalog No: AG004D8C MDL No:
Product Description
Catalog Number:
AG004D8C
Chemical Name:
5H-2,3-Benzodiazepine, 1-(4-fluorophenyl)-7,8-dimethoxy-4-methyl-
CAS Number:
88145-29-3
Molecular Formula:
C18H17FN2O2
Molecular Weight:
312.3382
IUPAC Name:
1-(4-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
InChI:
InChI=1S/C18H17FN2O2/c1-11-8-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-4-6-14(19)7-5-12/h4-7,9-10H,8H2,1-3H3
InChI Key:
NCINNMULFGLUHT-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CC(=NN=C2c1ccc(cc1)F)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.344g/mol
Monoisotopic Mass:
312.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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