Home Other Building Blocks 8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

CAS No.:
1333665-48-7
Catalog Number:
AG01AJW0
Molecular Formula:
C10H11FN2O
Molecular Weight:
194.2055
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Product Description
Catalog Number:
AG01AJW0
Chemical Name:
8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
CAS Number:
1333665-48-7
Molecular Formula:
C10H11FN2O
Molecular Weight:
194.2055
MDL Number:
MFCD19686431
IUPAC Name:
7-fluoro-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
InChI:
InChI=1S/C10H11FN2O/c1-13-9-6-7(11)2-3-8(9)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3
InChI Key:
JBAOTJDFQDTNKM-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)N(C)C(=O)CCN2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.086g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.209g/mol
Monoisotopic Mass:
194.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties