Home Halogens 1-(4-bromobenzoyl)pyrrolidine-2-carboxylic acid

1-(4-bromobenzoyl)pyrrolidine-2-carboxylic acid

CAS No.:
145764-04-1
Catalog Number:
AG01ELD7
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
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Product Description
Catalog Number:
AG01ELD7
Chemical Name:
1-(4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CAS Number:
145764-04-1
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
MDL Number:
MFCD31381430
IUPAC Name:
1-(4-bromobenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12BrNO3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17)
InChI Key:
URXUXNFNMXRTAJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1C(=O)c1ccc(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:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties