4-Nitrobenzyl fluoride

CAT: 0127-PC56788-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC56788-01Size:250 mg

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CAS Number

500-11-8

MDL Number

MFCD28990107

Purity

95%

Smiles

[O-][N+](=O)c1ccc(CF)cc1

Additionnal Information

Packaged in HDPE bottles

Storage Conditions

Store at -20°C

Chemical Information

4-Nitrobenzyl fluoride

CAS Number	500-11-8
PubChem CID	10866566
IUPAC Name	1-(fluoromethyl)-4-nitrobenzene
Molecular Formula	C7H6FNO2
Molecular Weight	155.13
XLogP	2.3
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1=CC(=CC=C1CF)[N+](=O)[O-]

InChI

InChI=1S/C7H6FNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey

CJFHTFLZNPFBKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 500-11-8

CID: 10866566

Formula: C7H6FNO2

MW: 155.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.13
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	155.03825660
Monoisotopic Mass	155.03825660
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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
PC56786-01	3-Nitrobenzyl fluoride
PC56784-01	2-Nitrobenzyl fluoride
PC27922-01	4-Bromo-2-fluoro-5-nitrobenzyl fluoride
PC502886	2-Bromo-3-nitrobenzyl fluoride
PC502887-01	5-Bromo-2-nitrobenzyl fluoride
PC27901-01	2-Bromo-6-nitrobenzyl fluoride
PC27896-01	3-Bromo-5-nitrobenzyl fluoride
PC57047-01	4-Nitrobenzal fluoride
PC27920-01	2-Bromo-5-fluoro-3-nitrobenzyl fluoride
OR1026064-01	4-Nitrobenzyl Methanesulfonate

Catalog	Name
433239-01	4-Nitrobenzyl fluoride
XCA39840	4-Bromobenzoyl fluoride
433044-01	4-Methoxymetanilyl fluoride
431230-01	4-Bromobenzenesulfonyl fluoride
GTR19216453-01	Thalidomide 4-fluoride
AR-A02209-01	4-Aminobenzyl Fluoride
AAA45949-01	4-Bromobenzyl fluoride
GTR19235967-01	4-Bromophenoxytetrafluoroethanesulphonyl fluoride
GTR19235965-01	4-Methoxyphenoxytetrafluoroethanesulphonyl fluoride
AAA34989	4-Chlorobenzenesulfonyl fluoride