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2,4-DB

CAS: 94-82-6
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94-82-6

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1 4-(2,4-Dichlorophenoxy)butanoic acid
2 2,4-DB
3 2,4-dichlorophenoxybutyric acid
4 Butoxone
5 Butyrac

2,4-D Butyric Acid can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).

Molecular Formula C10H10Cl2O3
Canonical SMILES C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
Isomeric SMILES C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
Molecular Weight 249.0900
InChIKey YIVXMZJTEQBPQO-UHFFFAOYSA-N
InChI InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
XLogP 3.5000
ExactMass 248.0007
MonoisotopicMass 248.0007
TPSA 46.5000
Complexity 211.0000
Charge 0.0000
HBondDonorCount 1
HBondAcceptorCount 3
RotatableBondCount 5
HeavyAtomCount 15
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 6663
PatentFamilyCount 2168
LiteratureCount 440