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89376-31-8 | 3H-2-Benzazepine, 8-chloro-1-(2-fluorophenyl)-
CAS No: 89376-31-8 Catalog No: AG003X6P MDL No:
Product Description
Catalog Number:
AG003X6P
Chemical Name:
3H-2-Benzazepine, 8-chloro-1-(2-fluorophenyl)-
CAS Number:
89376-31-8
Molecular Formula:
C16H11ClFN
Molecular Weight:
271.7166
IUPAC Name:
8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine
InChI:
InChI=1S/C16H11ClFN/c17-12-8-7-11-4-3-9-19-16(14(11)10-12)13-5-1-2-6-15(13)18/h1-8,10H,9H2
InChI Key:
LDLDGRWGIIMPKB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC=C2)c1ccccc1F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.719g/mol
Monoisotopic Mass:
271.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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