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Alachlor

CAT: 0926-FA17247-02Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-FA17247-02Size:0.25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15972-60-8
Synonyms
2-Chloro-N- (2,6-diethylphenyl) -N- (methoxymethyl) acetamide;2-Chloro-2',6'-diethyl-N- (methoxymethyl) acetanilide;2-Chloro-2',6'-diethyl -N-methoxymethylacetanilide
MDL Number
MFCD00041817
Smiles
CCC1=C (C (=CC=C1) CC) N (COC) C (=O) CCl
Molecular Formula
C14H20ClNO2
Molecular Weight
269.77 g/mol
Controlled
No

Chemical Information

Alachlor

Alachlor can cause cancer according to an independent committee of scientific and health experts.

CAS Number15972-60-8
PubChem CID2078
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
Molecular FormulaC14H20ClNO2
Molecular Weight269.77
XLogP3.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity248
SMILES
CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
InChI
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKey
XCSGPAVHZFQHGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alachlor
CAS: 15972-60-8
CID: 2078
Formula: C14H20ClNO2
MW: 269.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.77
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass269.1182566
Monoisotopic Mass269.1182566
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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