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2,4-D-dimethylammonium

2,4-D-dimethylammonium

CAS: 2008-39-1

Formula: C10H13Cl2NO3

SMILES: CNC.OC(=O)COC1=CC=C(Cl)C=C1Cl

IUPAC: 2-(2,4-dichlorophenoxy)acetic acid; dimethylamine

InChI: InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3

Composition: C (45.13%), H (4.92%), Cl (26.64%), N (5.26%), O (18.04%)

Molar Mass: 266.12

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names 2,4-D-dimethylammonium
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 265.0272487
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IUQJDHJVPLLKFL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.22
Topological Polar Surface Area 46.53
Polarizability 19.13
Ring Count 1
Rotatable Bond Count 3

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