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144657-68-1 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(chloromethyl)-, 1,1-dimethylethyl ester
CAS No: 144657-68-1 Catalog No: AG001JY6 MDL No:
Product Description
Catalog Number:
AG001JY6
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-(chloromethyl)-, 1,1-dimethylethyl ester
CAS Number:
144657-68-1
Molecular Formula:
C13H15ClN2O2
Molecular Weight:
266.7234
IUPAC Name:
tert-butyl 3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-8-9(7-14)10-5-4-6-15-11(10)16/h4-6,8H,7H2,1-3H3
InChI Key:
QNZOXNXWZZILHS-UHFFFAOYSA-N
SMILES:
ClCc1cn(c2c1cccn2)C(=O)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.725g/mol
Monoisotopic Mass:
266.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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