Home Other Building Blocks methyl 2-(4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

methyl 2-(4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate

CAS No.:
91392-96-0
Catalog Number:
AG01AAG7
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AAG7
Chemical Name:
methyl 2-(4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
CAS Number:
91392-96-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD05854735
IUPAC Name:
methyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
InChI:
InChI=1S/C12H12N2O3/c1-17-12(16)7-8-6-11(15)14-10-5-3-2-4-9(10)13-8/h2-6,13H,7H2,1H3,(H,14,15)
InChI Key:
CTILPASCHMQIMS-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(=O)[nH]c2c([nH]1)cccc2
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties