Bifenox

CAT: 1299-RG-A260740-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260740-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

42576-02-3

Synonyms

Bifenox

Molecular Formula

C14H9Cl2NO5

Molecular Weight

342.13

Product Name Synonym

Bifenox

Chemical Information

Bifenox

MC-4379 is a nitrobenzoic acid.

CAS Number	42576-02-3
PubChem CID	39230
IUPAC Name	methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Molecular Formula	C14H9Cl2NO5
Molecular Weight	342.1
XLogP	4.5
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	417

SMILES

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3

InChIKey

SUSRORUBZHMPCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42576-02-3

CID: 39230

Formula: C14H9Cl2NO5

MW: 342.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.1
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	340.9857778
Monoisotopic Mass	340.9857778
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	417
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes