Benzeneacetic acid, 3-amino-4-chloro-, methyl ester


Chemical Name: Benzeneacetic acid, 3-amino-4-chloro-, methyl ester
CAS Number: 59833-69-1
Product Number: AG00E9CX(AGN-PC-03HQL3)
Synonyms:
MDL No:
Molecular Formula: C9H10ClNO2
Molecular Weight: 199.6342

Identification/Properties


Computed Properties
Molecular Weight:
199.634g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
199.04g/mol
Monoisotopic Mass:
199.04g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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