Haloxyfop-d4

CAT: 0926-CFA89334-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-CFA89334-02Size:5 mg

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CAS Number

127893-34-9

Smiles

CC (C (=O) O) OC1=CC=C (C=C1) OC2=C (C=C (C=N2) C (F) (F) F) Cl

Molecular Formula

C15H11ClF3NO4

Molecular Weight

365.72 g/mol

Controlled

Chemical Information

(+/-)-Haloxyfop-d4

CAS Number	127893-34-9
PubChem CID	12877620
IUPAC Name	2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3,5,6-tetradeuteriophenoxy]propanoic acid
Molecular Formula	C15H11ClF3NO4
Molecular Weight	365.72
XLogP	4.2
Topological Polar Surface Area	68.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	429

SMILES

[2H]C1=C(C(=C(C(=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)[2H])[2H])OC(C)C(=O)O)[2H]

InChI

InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/i2D,3D,4D,5D

InChIKey

GOCUAJYOYBLQRH-QFFDRWTDSA-N

Chemical Structure

2D Structure

CAS: 127893-34-9

CID: 12877620

Formula: C15H11ClF3NO4

MW: 365.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.72
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	365.0579770
Monoisotopic Mass	365.0579770
Topological Polar Surface Area	68.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	429
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes