3-Fluorophenyl isocyanate - CAS 404-71-7

Name: 3-Fluorophenyl isocyanate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024514
Product Name:	3-Fluorophenyl isocyanate
CAS:	404-71-7
Synonyms:	1-fluoro-3-isocyanatobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-fluoro-3-isocyanatobenzene
Description:	3-Fluorophenyl isocyanate (CAS# 404-71-7) is a useful research chemical.
Molecular Weight:	137.11
Molecular Formula:	C7H4FNO
Canonical SMILES:	C1=CC(=CC(=C1)F)N=C=O
InChI:	InChI=1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI Key:	RIKWVZGZRYDACA-UHFFFAOYSA-N
Boiling Point:	56 °C (14 torr)
Density:	1.201 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00002015
LogP:	1.79300

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

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Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.027691913
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.027691913
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8