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Metamitron

CAT: 1299-RG-A260733-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260733-04Size:100 mg
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CAS Number
41394-05-2
Synonyms
Metamitron
Molecular Formula
C10H10N4O
Molecular Weight
202.21
Product Name Synonym
Metamitron

Chemical Information

Metamitron

Metamitron is a member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, a methyl group at position 3 and a phenyl group at position 6. It has a role as a herbicide, a xenobiotic and an environmental contaminant.

CAS Number41394-05-2
PubChem CID38854
IUPAC Name4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
Molecular FormulaC10H10N4O
Molecular Weight202.21
XLogP0.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity328
SMILES
CC1=NN=C(C(=O)N1N)C2=CC=CC=C2
InChI
InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKey
VHCNQEUWZYOAEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metamitron
CAS: 41394-05-2
CID: 38854
Formula: C10H10N4O
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass202.08546096
Monoisotopic Mass202.08546096
Topological Polar Surface Area71.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity328
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

Alternative Products

CatalogName
CS-AJ-00023Metamitron
HY-W014793R-01Metamitron (Standard)
TRC-M258849-25MGMetamitron-D5
S-3946Metamitron - 1ML

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