4-Nitroindole, N-BOC protected

CAT: 0127-OR3588Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR3588Size:1 Each

Selected

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

Quick Request Actions

CAS Number

913836-24-5

Synonyms

Tert-Butyl 4-nitro-1H-indole-1-carboxylate

MDL Number

MFCD08689543

Purity

97%

Smiles

CC(C)(C)OC(=O)n1ccc2c(cccc12)[N+](=O)[O-]

Chemical Information

tert-butyl 4-nitro-1H-indole-1-carboxylate

CAS Number	913836-24-5
PubChem CID	25307166
IUPAC Name	tert-butyl 4-nitroindole-1-carboxylate
Molecular Formula	C13H14N2O4
Molecular Weight	262.26
XLogP	3.1
Topological Polar Surface Area	77.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	372

SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-8-7-9-10(14)5-4-6-11(9)15(17)18/h4-8H,1-3H3

InChIKey

UKMLUDGMHPZXGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 913836-24-5

CID: 25307166

Formula: C13H14N2O4

MW: 262.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.26
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	262.09535693
Monoisotopic Mass	262.09535693
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	372
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
OR1738	3-Bromo-7-nitroindole, N-BOC protected
OR1669	7-Nitroindole-3-carboxaldehyde, N-BOC protected
OR10620-01	4-Bromoaniline, N-BOC protected
OR41125-01	4-Iodopiperidine, N-BOC protected
OR9060-01	4-Cyanopiperidine, N-BOC protected
OR9063-01	4-Methylenepiperidine, N-BOC protected
PC2107	4-Fluorophenylglycine-N-Boc protected
OR303991	4-Bromophenacylamine, N-BOC protected
OR5404-01	4-Hydroxypiperidine, N-BOC protected
OR01705-01	4-Aminobenzaldehyde, N-BOC protected

Catalog	Name
sc-357060	5-Nitroindole-3-carboxaldehyde, N-BOC protected
sc-358013	7-Nitroindole-3-carboxaldehyde, N-BOC protected
sc-356742	3-Iodo-5-nitroindole, N-BOC protected
sc-356701	3-Bromo-5-nitroindole, N-BOC protected
sc-356707	3-Bromo-7-nitroindole, N-BOC protected
sc-356745	3-Iodo-7-nitroindole, N-BOC protected
sc-357751A	4-Fluoroaniline, N-BOC protected
sc-357720	4-Bromoindole, N-BOC protected
TTB75980-01	4- (Trifluoroacetyl) piperidine, N-BOC protected
sc-357672	4-Benzyloxy-3-hydroxymethylindole, N-BOC protected