Methyl (4-fluorophenyl) carbamate

CAT: 0127-PC1005935-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1005935-01Size:250 mg

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CAS Number

16744-99-3

MDL Number

MFCD00463556

Purity

98%

Smiles

O=C(OC)NC1=CC=C(F)C=C1

Chemical Information

Carbamic acid, (4-fluorophenyl)-, methyl ester

CAS Number	16744-99-3
PubChem CID	4689023
IUPAC Name	methyl N-(4-fluorophenyl)carbamate
Molecular Formula	C8H8FNO2
Molecular Weight	169.15
XLogP	1.9
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

COC(=O)NC1=CC=C(C=C1)F

InChI

InChI=1S/C8H8FNO2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)

InChIKey

ZTHJCBXOIFNHDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16744-99-3

CID: 4689023

Formula: C8H8FNO2

MW: 169.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.15
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	169.05390666
Monoisotopic Mass	169.05390666
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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
OR1081228-01	Methyl 4-bromobenzyl (methyl) carbamate
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OR1062420-01	Methyl (4-chlorophenyl) carbamate
PC100785-01	Phenyl (4-chloro-3-fluorophenyl) carbamate
OR1051839-01	Methyl (4-nitrophenyl) carbamate
OR1049179-01	Methyl (4-aminophenyl) carbamate
PC108249	Tert-Butyl N- ({3-[2- (4-fluorophenyl) acetyl]phenyl}methyl) carbamate
PC4174-01	4-Fluorophenyl methyl sulphone
PC101487-01	Tert-Butyl (1- (4-fluorophenyl) cyclobutyl) carbamate
PC101182-01	Benzyl (3-fluorophenyl) carbamate

Catalog	Name
UTB10783-01	Methyl N- (4-amino-2-fluorophenyl) carbamate
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HBA33907-01	(4-Nitrophenyl) methyl carbamate
RG-P022765-01	Methyl (4-Bromophenyl) Carbamate
AJB79148-01	Methyl N-[ (4-aminophenyl) methyl]carbamate