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1227268-86-1 | 1H-Indole-1-carboxylic acid, 4-cyano-3-iodo-, 1,1-dimethylethyl ester
CAS No: 1227268-86-1 Catalog No: AG000J4M MDL No:
Product Description
Catalog Number:
AG000J4M
Chemical Name:
1H-Indole-1-carboxylic acid, 4-cyano-3-iodo-, 1,1-dimethylethyl ester
CAS Number:
1227268-86-1
Molecular Formula:
C14H13IN2O2
Molecular Weight:
368.1697
IUPAC Name:
tert-butyl 4-cyano-3-iodoindole-1-carboxylate
InChI:
InChI=1S/C14H13IN2O2/c1-14(2,3)19-13(18)17-8-10(15)12-9(7-16)5-4-6-11(12)17/h4-6,8H,1-3H3
InChI Key:
VDGBEZGBBALLTB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(I)cn2C(=O)OC(C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.002g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.174g/mol
Monoisotopic Mass:
368.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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