Products for Research Use Only
RegisterLogin

Carfentrazone

CAT: 1596-AR-C06220-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-C06220-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
128621-72-7
Synonyms
2-chloro-3- (2-chloro-5- (4- (difluoromethyl) -3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl) -4-fluorophenyl) propanoic acid
Molecular Formula
C13H10Cl2F3N3O3
Molecular Weight
384.14
API Name
Carfentrazone-ethyl

Chemical Information

Carfentrazone

2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid is a member of the class of triazoles that is 2,4-dihydro-3H-1,2,4-triazol-3-one which is substituted at positions 2, 4, and 5 by 5-(2-carboxy-2-chloroethyl)-4-chloro-2-fluorophenyl, difluoromethyl, and methyl groups, respectively. It is a monocarboxylic acid, a member of triazoles, a member of monochlorobenzenes and a member of monofluorobenzenes.

CAS Number128621-72-7
PubChem CID443229
IUPAC Name2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid
Molecular FormulaC13H10Cl2F3N3O3
Molecular Weight384.13
XLogP3.3
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity552
SMILES
CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F
InChI
InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)
InChIKey
YHKBGVDUSSWOAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carfentrazone
CAS: 128621-72-7
CID: 443229
Formula: C13H10Cl2F3N3O3
MW: 384.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.13
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass383.0051311
Monoisotopic Mass383.0051311
Topological Polar Surface Area73.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-C183465-50MGCarfentrazone
FC103590-01Carfentrazone-ethyl
CS-T-103859Carfentrazone Ethyl-d5
CS-AZ-00100Carfentrazone (free acid)
TRC-C183455-100MGCarfentrazone Ethyl Ester
TRC-C410420-750MGCarfentrazone-benzoic Acid
TRC-C245690-250MGCarfentrazone-despropionate-dicarboxylic Acid
TRC-C245695-100MGCarfentrazone-methyl Triazole (M3)
TRC-E717760-25MGEthyl Carbonyl Pentenoate Carfentrazone
TRC-D439955-25MG2-Deschloro Carfentrazone Ethyl Ester

Popular Products