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1971-87-5 | Benzenemethanol, 2,3,6-trichloro-, 1-acetate
CAS No: 1971-87-5 Catalog No: AG002ALR MDL No:
Product Description
Catalog Number:
AG002ALR
Chemical Name:
Benzenemethanol, 2,3,6-trichloro-, 1-acetate
CAS Number:
1971-87-5
Molecular Formula:
C9H7Cl3O2
Molecular Weight:
253.5097
IUPAC Name:
(2,3,6-trichlorophenyl)methyl acetate
InChI:
InChI=1S/C9H7Cl3O2/c1-5(13)14-4-6-7(10)2-3-8(11)9(6)12/h2-3H,4H2,1H3
InChI Key:
OBNCTFDUSUHCBS-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1c(Cl)ccc(c1Cl)Cl
NSC Number:
155909
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.503g/mol
Monoisotopic Mass:
251.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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