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Home Halogens 5-Amino-2-chlorobenzoic acid

5-Amino-2-chlorobenzoic acid

CAS No.:
89-54-3
Catalog Number:
AG003MD6
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$90
- +
100g
95%
In Stock USA
United States
$262
- +
Product Description
Catalog Number:
AG003MD6
Chemical Name:
5-Amino-2-chlorobenzoic acid
CAS Number:
89-54-3
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007845
IUPAC Name:
5-amino-2-chlorobenzoic acid
InChI:
InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChI Key:
GVCFFVPEOLCYNN-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(=O)O)Cl
EC Number:
201-916-5
NSC Number:
25172
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Bis(5-amino-2-chloro-benzoato-κO)triphenyl-anti-mony(V). Acta crystallographica. Section E, Structure reports online 20091101
2-Chloro-5-(2-iodo-benzene-sulfonamido)-benzoic acid. Acta crystallographica. Section E, Structure reports online 20090201
Vibrational spectra and assignments of 5-amino-2-chlorobenzoic acid by ab initio Hartree-Fock and density functional methods. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070201
Properties