Ethyl 5-fluoro-2-nitrobenzoate

CAT: 1731-AL BI 0375-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1731-AL BI 0375-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

364-51-2

MDL Number

MFCD06204441

Purity

0.95

Smiles

CCOC (=O) c1cc (F) ccc1[N+] (=O) [O-]

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Ethyl 5-fluoro-2-nitrobenzoate

CAS Number	364-51-2
PubChem CID	10987604
IUPAC Name	ethyl 5-fluoro-2-nitrobenzoate
Molecular Formula	C9H8FNO4
Molecular Weight	213.16
XLogP	2.3
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	253

SMILES

CCOC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C9H8FNO4/c1-2-15-9(12)7-5-6(10)3-4-8(7)11(13)14/h3-5H,2H2,1H3

InChIKey

LNFCVLHYTOGQEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 364-51-2

CID: 10987604

Formula: C9H8FNO4

MW: 213.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.16
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	213.04373590
Monoisotopic Mass	213.04373590
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253
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
FH 1G 0144-01	Ethyl 5-amino-2-nitrobenzoate
AL BI 0858-01	Ethyl 4-fluoro-3-nitrobenzoate
AL BI 0981-01	Ethyl 2,6-dichloro-3-nitrobenzoate
AL BF 0679-01	Methyl 5-hydroxy-2-nitrobenzoate
AL BF 0746-01	Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
FH 1G 0165-01	Methyl 2-acetamido-6-nitrobenzoate
AL BF 1440-01	Methyl 4-methylsulfonyl-2-nitrobenzoate
FH 1G 0160-01	Methyl 2-amino-6-nitrobenzoate
AL BI 0496-01	Ethyl 6-chloro-2-fluoro-3-methylbenzoate
AL BI 0749-01	Ethyl 2-bromo-5-fluorobenzoate

Catalog	Name
448920-01	Ethyl 2-fluoro-5-nitrobenzoate
sc-337759	Ethyl 3-Fluoro-5-nitrobenzoate
PC1001291-01	Ethyl 2-fluoro-3-nitrobenzoate
PC100154-01	Ethyl 3-fluoro-2-nitrobenzoate
RMC41508-01	Ethyl 4-fluoro-2-methyl-5-nitrobenzoate
GWB94029-01	Ethyl 4-bromo-2-fluoro-5-nitrobenzoate
PC1007665-01	Ethyl 2-bromo-4-fluoro-5-nitrobenzoate
448921-01	Ethyl 2-fluoro-6-nitrobenzoate
PC101726-01	Ethyl 4-fluoro-2-nitrobenzoate
PC103843-01	Ethyl 2-fluoro-4-nitrobenzoate