2-amino-6-chloro-3-methylbenzoic acid


Chemical Name: 2-amino-6-chloro-3-methylbenzoic acid
CAS Number: 857005-81-3
Product Number: AG00IDQZ(AGN-PC-05FBEH)
Synonyms:
MDL No: MFCD06409109
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
185.024g/mol
Monoisotopic Mass:
185.024g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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