Ipfencarbazone 25mg

CAT: 0628-A21121-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A21121-25Size:25 mg

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CAS Number

212201-70-2

Chemical Information

Ipfencarbazone

an herbicide; structure in first source

CAS Number	212201-70-2
PubChem CID	15457339
IUPAC Name	1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
Molecular Formula	C18H14Cl2F2N4O2
Molecular Weight	427.2
XLogP	4.7
Topological Polar Surface Area	56.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	639

SMILES

CC(C)N(C1=C(C=C(C=C1)F)F)C(=O)N2C=NN(C2=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3

InChIKey

DHYXNIKICPUXJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 212201-70-2

CID: 15457339

Formula: C18H14Cl2F2N4O2

MW: 427.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	427.2
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	426.0461874
Monoisotopic Mass	426.0461874
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	639
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