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Home Halogens dimethylammonium 4-chloro-o-tolyloxyacetate

dimethylammonium 4-chloro-o-tolyloxyacetate

CAS No.:
2039-46-5
Catalog Number:
AG0071BL
Molecular Formula:
C11H16ClNO3
Molecular Weight:
245.7026
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Product Description
Catalog Number:
AG0071BL
Chemical Name:
dimethylammonium 4-chloro-o-tolyloxyacetate
CAS Number:
2039-46-5
Molecular Formula:
C11H16ClNO3
Molecular Weight:
245.7026
MDL Number:
MFCD01743496
IUPAC Name:
2-(4-chloro-2-methylphenoxy)acetic acid;N-methylmethanamine
InChI:
InChI=1S/C9H9ClO3.C2H7N/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-3-2/h2-4H,5H2,1H3,(H,11,12);3H,1-2H3
InChI Key:
PKAUICCNAWQPAU-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1C)Cl.CNC
EC Number:
218-014-2
UNII:
GW8NK4SDSS
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.703g/mol
Monoisotopic Mass:
245.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties