Home Halogens 4-amino-2-chloro-5-methylbenzoic acid

4-amino-2-chloro-5-methylbenzoic acid

CAS No.:
1357944-41-2
Catalog Number:
AG01EA6D
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG01EA6D
Chemical Name:
4-amino-2-chloro-5-methylbenzoic acid
CAS Number:
1357944-41-2
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD21364958
IUPAC Name:
4-amino-2-chloro-5-methylbenzoic acid
InChI:
InChI=1S/C8H8ClNO2/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
TZZDMHQYJWDAME-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(cc1Cl)N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties