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Home Halogens 3-(2,4,5-trichlorophenoxy)propanoic acid

3-(2,4,5-trichlorophenoxy)propanoic acid

CAS No.:
582-53-6
Catalog Number:
AG0038N7
Molecular Formula:
C9H7Cl3O3
Molecular Weight:
269.5091
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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
MDL Number:
MFCD00045942
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
Properties