4-Fluoro-N- (Boc) indole

CAT: 0127-PC103678-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC103678-01Size:100 mg

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CAS Number

129822-45-3

MDL Number

MFCD18782887

Purity

98%

Smiles

CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)F

Chemical Information

tert-Butyl 4-fluoro-1H-indole-1-carboxylate

CAS Number	129822-45-3
PubChem CID	14710388
IUPAC Name	tert-butyl 4-fluoroindole-1-carboxylate
Molecular Formula	C13H14FNO2
Molecular Weight	235.25
XLogP	3.4
Topological Polar Surface Area	31.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	300

SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2F

InChI

InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3

InChIKey

HWVFAXLKBJQDMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129822-45-3

CID: 14710388

Formula: C13H14FNO2

MW: 235.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.25
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	235.10085685
Monoisotopic Mass	235.10085685
Topological Polar Surface Area	31.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	300
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
OR1655-01	4-Bromo-1H-indole, N-BOC protected
PC109915	3- (Difluoromethyl) -6-fluoro-1H-indole, N-BOC protected
OR5773-01	1H-Indole, N-BOC protected
PC9665-01	4-Fluoro-1H-indole
OR1725	3,4-Dibromo-1H-indole, N-BOC protected
PC6246	7-Fluoro-1H-indole-2-boronic acid, N-BOC protected
PC1682-01	5-Fluoro-1H-indole-2-boronic acid, N-BOC protected
OR1660-01	4-Bromo-1H-indole-3-carboxaldehyde, N-BOC protected
OR1701	4-Hydroxy-1H-indole-3-carboxaldehyde, N-BOC protected
PC3551-01	4-Fluoro-L-phenylalanine, N-BOC protected

Catalog	Name
409002-01	1-Boc-6-fluoro-1h-indole
sc-268418	7-N-Boc-Amino-indole
sc-338248	N-Boc- (3-indole) glycine
sc-356894	4-Hydroxy-3- (hydroxymethyl) indole, N-BOC protected
269844-01	4-Chloro-N- (Boc) -indole-2-boronic acid
sc-264878	1-N- (3'-Indole) ethyl-4-Boc-aminopiperidine
HY-50284-01	N-Boc-indole-2-boronic acid
sc-268119	5-N-Boc-Amino-1H-Indole
266031-01	N-Boc-1H-indole-5-carbaldehyde
sc-357699	4-Bromo-3- (hydroxymethyl) -1H-indole, N-BOC protected