2-Fluoro-6-nitrobenzoic acid

CAT: 0926-FF70329-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FF70329-01Size:0.1 Kg

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CAS Number

385-02-4

MDL Number

MFCD01862079

Smiles

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

Molecular Formula

C7H4FNO4

Molecular Weight

185.11 g/mol

Controlled

Chemical Information

2-Fluoro-6-nitrobenzoic acid

CAS Number	385-02-4
PubChem CID	603758
IUPAC Name	2-fluoro-6-nitrobenzoic acid
Molecular Formula	C7H4FNO4
Molecular Weight	185.11
XLogP	1
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	227

SMILES

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

InChI

InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)

InChIKey

MPDZCNPDHUUPRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 385-02-4

CID: 603758

Formula: C7H4FNO4

MW: 185.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.11
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	185.01243577
Monoisotopic Mass	185.01243577
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227
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
LRB38881-01	2-Bromo-6-fluoro-3-nitrobenzoic acid
KPC06059-01	2-Bromo-6-fluoro-4-nitrobenzoic acid
WFA94851-01	3-Fluoro-2-methyl-6-nitrobenzoic acid
ETB99296-01	6-Fluoro-2-methyl-3-nitrobenzoic acid
GIA88430-01	2-chloro-6-fluoro-3-nitrobenzoic acid
HXC23817-01	3-Chloro-6-fluoro-2-nitrobenzoic acid
FF01658	2-Fluoro-4-nitrobenzoic acid
FF66745-01	3-Fluoro-2-nitrobenzoic acid
FF34112-01	2-Fluoro-3-nitrobenzoic acid
FF70787-01	4-Fluoro-2-nitrobenzoic acid

Catalog	Name
sc-259885	2-Fluoro-6-nitrobenzoic acid
PC500273	2-Amino-6-fluoro-3-nitrobenzoic acid
PC502220	2-Fluoro-4-methyl-6-nitrobenzoic acid
PC400506-01	2-Bromo-6-fluoro-3-nitrobenzoic acid
AL BO 1556-01	2-chloro-6-fluoro-3-nitrobenzoic acid
PC110520-01	6-Bromo-2-fluoro-3-nitrobenzoic acid
PC110255-01	4-Bromo-2-fluoro-6-nitrobenzoic acid
PC1026326-01	2-Chloro-3-fluoro-6-nitrobenzoic acid
PC56285-01	6-Fluoro-2-methyl-3-nitrobenzoic acid
RG-E141764-01	3-bromo-2-fluoro-6-nitrobenzoic acid