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2-Fluorophenyl isocyanate

CAT: 0024-sc-225410Size: 5 gDry Ice: NoHazardous: No
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CAS Number
16744-98-2

Chemical Information

2-Fluorophenyl isocyanate
CAS Number16744-98-2
PubChem CID85588
IUPAC Name1-fluoro-2-isocyanatobenzene
Molecular FormulaC7H4FNO
Molecular Weight137.11
XLogP2.8
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity154
SMILES
C1=CC=C(C(=C1)N=C=O)F
InChI
InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey
VZNCSZQPNIEEMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluorophenyl isocyanate
CAS: 16744-98-2
CID: 85588
Formula: C7H4FNO
MW: 137.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.11
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass137.027691913
Monoisotopic Mass137.027691913
Topological Polar Surface Area29.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity154
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-2317223-Fluorophenyl isocyanate
sc-2388544-Fluorophenyl isocyanate
sc-2309332,4-Dibromo-6-fluorophenyl isocyanate
sc-2311542,6-Dibromo-4-fluorophenyl isocyanate
sc-2315923-Chloro-4-fluorophenyl isocyanate
sc-272170(R) - (+) -1- (4-Fluorophenyl) ethyl isocyanate
sc-272309(S) - (-) -1- (4-Fluorophenyl) ethyl isocyanate
sc-2542302-Ethoxybenzyl isocyanate
sc-2302042-Chlorobenzyl isocyanate
sc-2304452-Isopropylphenyl isocyanate

Alternative Products

CatalogName
418075-012-​Fluorophenyl Isocyanate
PC4164-012-Fluorophenyl isocyanate
F04155-012-Fluorophenyl isocyanate 97%
FF077764-Fluorophenyl isocyanate
425789-013-Fluorophenyl isocyanate
FC81586-014-Chloro-2-Fluorophenyl Isocyanate
PC28258-012,6-Dibromo-4-fluorophenyl isocyanate
424956-013-Chloro-4-fluorophenyl Isocyanate
CAA243542-Naphthyl isocyanate
418961-012-​Nitrophenyl Isocyanate

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