Dichloro (isocyanato) methane

CAT: 0926-QBA63348-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QBA63348-01Size:50 mg

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CAS Number

40633-48-5

MDL Number

MFCD20622003

Smiles

C (=NC (Cl) Cl) =O

Molecular Formula

C2HCl2NO

Molecular Weight

125.94 g/mol

Controlled

Chemical Information

Dichloro(isocyanato)methane

CAS Number	40633-48-5
PubChem CID	18924586
IUPAC Name	dichloro(isocyanato)methane
Molecular Formula	C2HCl2NO
Molecular Weight	125.94
XLogP	2.4
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	75

SMILES

C(=NC(Cl)Cl)=O

InChI

InChI=1S/C2HCl2NO/c3-2(4)5-1-6/h2H

InChIKey

IHYCPZZPMNGWLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40633-48-5

CID: 18924586

Formula: C2HCl2NO

MW: 125.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.94
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	124.9435190
Monoisotopic Mass	124.9435190
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	75.6
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

Catalog	Name
LWB82612-01	Isocyanato (methanesulfonyl) methane
BFA86725-01	5,6-Dichloro-2-isocyanato-2- (trifluoromethyl) -1,3-dioxaindane
GYA81274-01	4-Isocyanato-1H-indole
EDA70954-01	1-Isocyanato-4-methylpentane
MBA44101-01	2-Isocyanato-1-methoxybutane
FI73281-01	1-Isocyanato-2-methylpropane
KGB78094-01	2-Isocyanato-5-methylfuran
KAC66469-01	3-Isocyanato-5-methylpyridine
BCA16323-01	1-Isocyanato-3-methylcyclohexane
EAA41885-01	1-Isocyanato-4-methanesulfonylbenzene

Catalog	Name
OR1068289-01	2,4-Dichloro-3-isocyanato-1,5-dimethoxybenzene
811323-01	Bromine Number Titration Solvent (Dichloro Methane formulation)
V0155 00100	Iodine Mono Bromide 1.0 M (in Dichloro methane)
V0156 00100	Iodine Mono Chloride Solution 1.0 M (in Dichloro methane)
069065	Dichlorophene Pract for Synthesis [5,5-Dichloro-2,2-Dihydroxy Diphenyl Methane, bis (5-Chloro-2-Hydroxyphenyl) Methane]
S-2379	Methane
418458-01	2-Isocyanato-pyridine
sc-274906	2-Isocyanato-benzonitrile
GTR19191976	4-isocyanato TEMPO
sc-206899	4-Isocyanato-TEMPO