Home Amines 21961-30-8
21961-30-8,MFCD02183894
Catalog No.:AA003ITK
21961-30-8 | 3-Amino-5-chlorobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$58.00   $40.00
- +
5g
97%
in stock  
$215.00   $150.00
- +
10g
97%
in stock  
$397.00   $278.00
- +
25g
97%
in stock  
$762.00   $534.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ITK
Chemical Name:
3-Amino-5-chlorobenzoic acid
CAS Number:
21961-30-8
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD02183894
IUPAC Name:
3-amino-5-chlorobenzoic acid
InChI:
InChI=1S/C7H6ClNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)
InChI Key:
ATFAXWNNFCBZNY-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)cc(c1)C(=O)O
Properties
Computed 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  

Synonyms
 
3-AMINO-5-CHLOROBENZOIC ACID 
21961-30-8 
KS-00000CJY 
DTXSID40450803 
ATFAXWNNFCBZNY-UHFFFAOYSA-N 
3-azanyl-5-chloranyl-benzoic acid 
ANW-24641 
CL8065 
FC1091 
MFCD02183894 
STL220795 
ZINC14985992 
3-amino-5-chlorobenzoicacid 
AKOS012322565 
AB11542 
AM83999 
AS04635 
CS-W021836 
GS-6023 
MCULE-6853732114 
TRA0039372 
AJ-66494 
AK-45965 
3-amino-5-chloro-benzoic Acid 
LS-35697 
SY007084 
AB0033952 
DB-011133 
ST2404886 
TX-011062 
4CH-017808 
A4704 
BB 0261325 
FT-0081485 
BENZOIC ACID, 3-AMINO-5-CHLORO- 
FT-0651159 
ST45244650 
X8029 
B-7932 
MFCD02183894 (97+%) 
961A308 
A815786 
C7H6ClNO2 
CID10986726 
PubChem10455 
ACMC-1CC08 
3-Amino-5-chloro benzoic acid 
SCHEMBL2537405 
CTK4E8054 
Literature

Title: Potent non-benzoquinone ansamycin heat shock protein 90 inhibitors from genetic engineering of Streptomyces hygroscopicus.

Journal: Journal of medicinal chemistry 20090326

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