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21961-30-8 | 3-Amino-5-chlorobenzoic acid
CAS No: 21961-30-8 Catalog No: AG003IWC MDL No:MFCD02183894
Product Description
Catalog Number:
AG003IWC
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
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 |
|---|---|
| Potent non-benzoquinone ansamycin heat shock protein 90 inhibitors from genetic engineering of Streptomyces hygroscopicus. | Journal of medicinal chemistry 20090326 |
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