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7554-79-2 | 2-(2,4-Dichlorobenzamido)acetic acid
CAS No: 7554-79-2 Catalog No: AG005K5E MDL No:MFCD00619713
Product Description
Catalog Number:
AG005K5E
Chemical Name:
2-(2,4-Dichlorobenzamido)acetic acid
CAS Number:
7554-79-2
Molecular Formula:
C9H7Cl2NO3
Molecular Weight:
248.0628
MDL Number:
MFCD00619713
IUPAC Name:
2-[(2,4-dichlorobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H7Cl2NO3/c10-5-1-2-6(7(11)3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChI Key:
NSEWCAZRGRZTHU-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccc(cc1Cl)Cl
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
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