4-Phenylindoline

CAT: 0127-OR1070694-02Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1070694-02Size:100 mg

Selected

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

Quick Request Actions

CAS Number

179473-53-1

MDL Number

MFCD20483510

Purity

95%

Smiles

C12=C(NCC2)C=CC=C1C3=CC=CC=C3

Chemical Information

4-Phenylindoline

CAS Number	179473-53-1
PubChem CID	15838064
IUPAC Name	4-phenyl-2,3-dihydro-1H-indole
Molecular Formula	C14H13N
Molecular Weight	195.26
XLogP	3.6
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	207

SMILES

C1CNC2=CC=CC(=C21)C3=CC=CC=C3

InChI

InChI=1S/C14H13N/c1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14/h1-8,15H,9-10H2

InChIKey

LYOLFBFLUVRUCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 179473-53-1

CID: 15838064

Formula: C14H13N

MW: 195.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.26
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	195.104799419
Monoisotopic Mass	195.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	207
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
OR88593-01	2-Phenylindoline
OR97036-01	Ethyl 3-phenylcinnoline-4-carboxylate
OR25692-01	3-Phenylcinnoline-4-carboxylic acid
BID0433-01	4',6-Diamidino-2-phenylindole dihydrochloride
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine

Catalog	Name
sc-231825	3-Methyl-1-phenylindoline-2-one
sc-214155	3,3-Dimethyl-2-methylene-1-phenylindoline
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
JH290997	4,4,4-Trifluorobutanal
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine