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Compound Fr14316

CAT: 0013-GTR19270077-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270077-01Size:1 mg
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Description
Compound Fr14316, with CAS No. 54812-56-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14316 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
54812-56-5
Smiles
Cl.CC1=CC=C (NN) C=C1Cl
Molecular Formula
C7H9ClN2.ClH
Molecular Weight
193.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3-Chloro-4-methylphenyl)hydrazine monohydrochloride
CAS Number54812-56-5
PubChem CID3085075
IUPAC Name(3-chloro-4-methylphenyl)hydrazine;hydrochloride
Molecular FormulaC7H10Cl2N2
Molecular Weight193.07
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity108
SMILES
CC1=C(C=C(C=C1)NN)Cl.Cl
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
InChIKey
DQDFVQJOXLGGBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Chloro-4-methylphenyl)hydrazine monohydrochloride
CAS: 54812-56-5
CID: 3085075
Formula: C7H10Cl2N2
MW: 193.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.07
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass192.0221037
Monoisotopic Mass192.0221037
Topological Polar Surface Area38.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes