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19407-42-2 | 2-Acetamido-6-chlorobenzoic acid
CAS No: 19407-42-2 Catalog No: AG003GAJ MDL No:MFCD00051939
Product Description
Catalog Number:
AG003GAJ
Chemical Name:
2-Acetamido-6-chlorobenzoic acid
CAS Number:
19407-42-2
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD00051939
IUPAC Name:
2-acetamido-6-chlorobenzoic acid
InChI:
InChI=1S/C9H8ClNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
VFHSJTHAMJFUCK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1C(=O)O)Cl
EC Number:
243-040-6
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.617g/mol
Monoisotopic Mass:
213.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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