2,4-Difluorophenyl chloroformate

CAT: 0127-PC1003999-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1003999-01Size:250 mg

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CAS Number

400900-00-7

MDL Number

MFCD24141121

Purity

95%

Smiles

O=C(Cl)OC1=CC=C(F)C=C1F

Chemical Information

2,4-Difluorophenyl chloroformate

CAS Number	400900-00-7
PubChem CID	18972753
IUPAC Name	(2,4-difluorophenyl) carbonochloridate
Molecular Formula	C7H3ClF2O2
Molecular Weight	192.55
XLogP	2.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	177

SMILES

C1=CC(=C(C=C1F)F)OC(=O)Cl

InChI

InChI=1S/C7H3ClF2O2/c8-7(11)12-6-2-1-4(9)3-5(6)10/h1-3H

InChIKey

FNNSHABLLQXXID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400900-00-7

CID: 18972753

Formula: C7H3ClF2O2

MW: 192.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.55
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	191.9789634
Monoisotopic Mass	191.9789634
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177
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
PC1003989-01	3,5-Difluorophenyl chloroformate
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OR11227-01	4-Nitrophenyl chloroformate
OR13039-01	4-Chlorophenyl chloroformate
OR1049270-01	4-Cyanophenyl chloroformate
OR1994-01	4-Methylphenyl chloroformate
OR18595	4-Bromophenyl chloroformate
OR5386-01	4-Nitrobenzyl chloroformate
PC53244-01	2,2,3,3,4,4,4-Heptafluorobutyl chloroformate
OR1078797-01	2-Ethylhexyl Chloroformate

Catalog	Name
CMC20186-01	4-Fluoro-2-methylphenyl chloroformate
JDA00072-01	4-Methylpentan-2-yl chloroformate
FKC70348-01	4-Bromo-2-fluorophenyl chloroformate
ZPA56822-01	4-Propylphenyl chloroformate
HAA69345-01	4-Chlorophenyl Chloroformate
TRC-F170000-1G	4-Fluorophenyl chloroformate
433169	4-Methylpentyl Chloroformate
TRC-N493645-250G	4-Nitrobenzyl Chloroformate
FN00094-01	4-Nitrophenyl chloroformate
TRC-C292865-5ML	4-Chlorobutyl Chloroformate