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6935-72-4 | [(2,4-dichlorobenzyl)amino](oxo)acetic acid
CAS No: 6935-72-4 Catalog No: AG005NCB MDL No:
Product Description
Catalog Number:
AG005NCB
Chemical Name:
[(2,4-dichlorobenzyl)amino](oxo)acetic acid
CAS Number:
6935-72-4
Molecular Formula:
C9H7Cl2NO3
Molecular Weight:
248.0628
IUPAC Name:
2-[(2,4-dichlorophenyl)methylamino]-2-oxoacetic acid
InChI:
InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(7(11)3-6)4-12-8(13)9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChI Key:
QIWNFNWLSCORSU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CNC(=O)C(=O)O
NSC Number:
56255
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.059g/mol
Monoisotopic Mass:
246.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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