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88949-62-6 | Glycine, N-[2-[(3-bromophenyl)amino]-2-oxoethyl]-N-(carboxymethyl)-
CAS No: 88949-62-6 Catalog No: AG0047IU MDL No:
Product Description
Catalog Number:
AG0047IU
Chemical Name:
Glycine, N-[2-[(3-bromophenyl)amino]-2-oxoethyl]-N-(carboxymethyl)-
CAS Number:
88949-62-6
Molecular Formula:
C12H13BrN2O5
Molecular Weight:
345.1460
IUPAC Name:
2-[[2-(3-bromoanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
InChI:
InChI=1S/C12H13BrN2O5/c13-8-2-1-3-9(4-8)14-10(16)5-15(6-11(17)18)7-12(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)
InChI Key:
ZQGFVXTWSRUIJD-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Br)CN(CC(=O)O)CC(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.001g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.149g/mol
Monoisotopic Mass:
344.001g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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