Home Halogens 7-chloro-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

7-chloro-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

CAS No.:
844-15-5
Catalog Number:
AG01EI01
Molecular Formula:
C15H12ClFN2O
Molecular Weight:
290.7200
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Product Description
Catalog Number:
AG01EI01
Chemical Name:
7-chloro-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CAS Number:
844-15-5
Molecular Formula:
C15H12ClFN2O
Molecular Weight:
290.7200
MDL Number:
MFCD31667118
IUPAC Name:
7-chloro-5-(2-fluorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H12ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,15,18H,8H2,(H,19,20)
InChI Key:
LZIAQNOAIDLPMN-UHFFFAOYSA-N
SMILES:
O=C1CNC(c2c(N1)ccc(c2)Cl)c1ccccc1F
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.062g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
290.722g/mol
Monoisotopic Mass:
290.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties