7-Fluoro-5-nitro-1H-indole

CAT: 0127-PC1002422-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1002422-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1167055-33-5

MDL Number

MFCD12405132

Purity

95%

Smiles

O=[N+](C1=CC2=C(NC=C2)C(F)=C1)[O-]

Chemical Information

7-Fluoro-5-nitro-1H-indole

CAS Number	1167055-33-5
PubChem CID	53399596
IUPAC Name	7-fluoro-5-nitro-1H-indole
Molecular Formula	C8H5FN2O2
Molecular Weight	180.14
XLogP	2
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	219

SMILES

C1=CNC2=C(C=C(C=C21)[N+](=O)[O-])F

InChI

InChI=1S/C8H5FN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H

InChIKey

ZKQZDAXQBWVXRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1167055-33-5

CID: 53399596

Formula: C8H5FN2O2

MW: 180.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.14
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	180.03350557
Monoisotopic Mass	180.03350557
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219
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
SWB05533-01	7-Fluoro-5-nitro-1H-indole
sc-352659A	5-fluoro-7-nitro-1H-indole-2,3-dione
JH747045	7-nitro-1H-indole
KAA55308-01	7-Methyl-5-nitro-1H-indole
TYD-00224-01	7-Fluoro-1H-indole
CZB49938-01	5-Chloro-7-fluoro-1H-indole
abx182166	5-Amino-7-fluoro-1H-indole
JKA86001-01	7-chloro-5-fluoro-1h-indole
SWB05612-01	4-Fluoro-7-nitro-2,3-dihydro-1H-indole
GKA93598-01	Methyl 7-fluoro-1H-indole-5-carboxylate