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150907-52-1 | Acetic acid, (2,4-dichlorophenoxy-13C6)- (9CI)
CAS No: 150907-52-1 Catalog No: AG001MXG MDL No:
Product Description
Catalog Number:
AG001MXG
Chemical Name:
Acetic acid, (2,4-dichlorophenoxy-13C6)- (9CI)
CAS Number:
150907-52-1
IUPAC Name:
2-(2,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyacetic acid
InChI:
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,7+1
InChI Key:
OVSKIKFHRZPJSS-JTZKEMBVSA-N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
6
Molecular Weight:
226.987g/mol
Monoisotopic Mass:
225.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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