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582-53-6 | 3-(2,4,5-trichlorophenoxy)propanoic acid
CAS No: 582-53-6 Catalog No: AG0038N7 MDL No:
Product Description
Catalog Number:
AG0038N7
Chemical Name:
3-(2,4,5-trichlorophenoxy)propanoic acid
CAS Number:
582-53-6
Molecular Formula:
C9H7Cl3O3
Molecular Weight:
269.5091
IUPAC Name:
3-(2,4,5-trichlorophenoxy)propanoic acid
InChI:
InChI=1S/C9H7Cl3O3/c10-5-3-7(12)8(4-6(5)11)15-2-1-9(13)14/h3-4H,1-2H2,(H,13,14)
InChI Key:
TZMWJEKNHBCUKP-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cc(Cl)c(cc1Cl)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.502g/mol
Monoisotopic Mass:
267.946g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Genetic variation in base excision repair pathway genes, pesticide exposure, and prostate cancer risk. | Environmental health perspectives 20111201 |
| Direct hapten-linked multiplexed immunoassays on polycarbonate surface. | Biosensors & bioelectronics 20110115 |
| A review of pesticide exposure and cancer incidence in the Agricultural Health Study cohort. | Environmental health perspectives 20100801 |
| Pesticide use and cutaneous melanoma in pesticide applicators in the agricultural heath study. | Environmental health perspectives 20100601 |
| Pesticide use and breast cancer risk among farmers' wives in the agricultural health study. | American journal of epidemiology 20050115 |
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