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85392-08-1 | 5-(2,2,2-TRICHLORO-1-HYDROXYETHYL)SALICYLIC ACID
CAS No: 85392-08-1 Catalog No: AG004TME MDL No:
Product Description
Catalog Number:
AG004TME
Chemical Name:
5-(2,2,2-TRICHLORO-1-HYDROXYETHYL)SALICYLIC ACID
CAS Number:
85392-08-1
Molecular Formula:
C9H7Cl3O4
Molecular Weight:
285.5085
IUPAC Name:
2-hydroxy-5-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid
InChI:
InChI=1S/C9H7Cl3O4/c10-9(11,12)7(14)4-1-2-6(13)5(3-4)8(15)16/h1-3,7,13-14H,(H,15,16)
InChI Key:
NDWAAEWOLHYURY-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(Cl)Cl)c1ccc(c(c1)C(=O)O)O
EC Number:
286-866-2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.941g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.501g/mol
Monoisotopic Mass:
283.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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