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1173023-06-7 | Dicamba-[13C6]
CAS No: 1173023-06-7 Catalog No: AG01FGG3 MDL No:
Product Description
Catalog Number:
AG01FGG3
Chemical Name:
Dicamba-[13C6]
CAS Number:
1173023-06-7
IUPAC Name:
2,5-dichloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
InChI:
InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)/i2+1,3+1,4+1,5+1,6+1,7+1
InChI Key:
IWEDIXLBFLAXBO-WBJZHHNVSA-N
Properties
Complexity:
198
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:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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