Home Halogens 1-[(4-bromophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(4-bromophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

CAS No.:
116404-23-0
Catalog Number:
AG01BDX1
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BDX1
Chemical Name:
1-[(4-bromophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CAS Number:
116404-23-0
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
MDL Number:
MFCD17154360
IUPAC Name:
1-[(4-bromophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12BrNO3/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)
InChI Key:
HIHCMWIQHUQLBO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(=O)N1Cc1ccc(cc1)Br
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.136g/mol
Monoisotopic Mass:
297g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties