Home Halogens Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate

Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate

CAS No.:
502841-91-0
Catalog Number:
AG00I8ZZ
Molecular Formula:
C13H16BrNO6
Molecular Weight:
362.1732
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$244
- +
5g
96%
In Stock USA
United States
$738
- +
10g
96%
In Stock USA
United States
$1100
- +
25g
96%
In Stock USA
United States
$1750
- +
Product Description
Catalog Number:
AG00I8ZZ
Chemical Name:
Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate
CAS Number:
502841-91-0
Molecular Formula:
C13H16BrNO6
Molecular Weight:
362.1732
MDL Number:
MFCD02663240
IUPAC Name:
ethyl 3-amino-3-(3-bromophenyl)propanoate;oxalic acid
InChI:
InChI=1S/C11H14BrNO2.C2H2O4/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;3-1(4)2(5)6/h3-6,10H,2,7,13H2,1H3;(H,3,4)(H,5,6)
InChI Key:
WFHZKGVEKQGFSE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCOC(=O)CC(c1cccc(c1)Br)N
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.016g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
362.176g/mol
Monoisotopic Mass:
361.016g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties