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

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

CAS No.:
1427381-04-1
Catalog Number:
AG01A3ZO
Molecular Formula:
C10H11FN2O
Molecular Weight:
194.2055
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Product Description
Catalog Number:
AG01A3ZO
Chemical Name:
8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one
CAS Number:
1427381-04-1
Molecular Formula:
C10H11FN2O
Molecular Weight:
194.2055
MDL Number:
MFCD23144170
IUPAC Name:
8-fluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
InChI:
InChI=1S/C10H11FN2O/c1-6-5-12-9-4-7(11)2-3-8(9)10(14)13-6/h2-4,6,12H,5H2,1H3,(H,13,14)
InChI Key:
LTKLSCXWRDJWQH-UHFFFAOYSA-N
SMILES:
CC1CNc2c(C(=O)N1)ccc(c2)F
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:
2  
Isotope Atom Count:
0
Molecular Weight:
194.209g/mol
Monoisotopic Mass:
194.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties