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2,4-Dichlorophenyl isocyanate

CAT: 0024-sc-230954Size: 5 gDry Ice: NoHazardous: No
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CAS Number
2612-57-9

Chemical Information

2,4-Dichlorophenyl isocyanate
CAS Number2612-57-9
PubChem CID75789
IUPAC Name2,4-dichloro-1-isocyanatobenzene
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01
XLogP4
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity179
SMILES
C1=CC(=C(C=C1Cl)Cl)N=C=O
InChI
InChI=1S/C7H3Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey
OLBJNSPBWLCTOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichlorophenyl isocyanate
CAS: 2612-57-9
CID: 75789
Formula: C7H3Cl2NO
MW: 188.01
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.01
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass186.9591691
Monoisotopic Mass186.9591691
Topological Polar Surface Area29.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity179
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

Related Products

CatalogName
sc-2235613,4-Dichlorophenyl isocyanate
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sc-2310852,5-Dichlorophenyl isocyanate
sc-2311752,6-Dichlorophenyl isocyanate
sc-2518282,3-Dichlorophenyl isocyanate
sc-2320873,5-Dichlorophenyl isocyanate
sc-2753102,4-Dibromophenyl isocyanate
sc-2383292,4-Difluorophenyl isocyanate
sc-2309832,4-Dimethoxyphenyl isocyanate
sc-2256902,4-Dimethylphenyl isocyanate

Alternative Products

CatalogName
420183-012,4-Dichlorophenyl Isocyanate
FD003703,4-Dichlorophenyl isocyanate
270695-012,3-Dichlorophenyl isocyanate
PBA92037-012,6-Dichlorophenyl Isocyanate
OR0150042,5-Dichlorophenyl isocyanate
D16650-013,4-Dichlorophenyl isocyanate 97%
D166352 3-Dichlorophenyl Isocyanate 97%
34893-92-03,5-Dichlorophenyl isocyanate
OR1028843-012,4-Dimethoxyphenyl Isocyanate
PC2875H-012,4-Difluorophenyl isocyanate

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