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941271-13-2 | tert-Butyl 4-iodo-6-phenylpyridin-3-ylcarbamate
CAS No: 941271-13-2 Catalog No: AG0067HT MDL No:MFCD11053564
Product Description
Catalog Number:
AG0067HT
Chemical Name:
tert-Butyl 4-iodo-6-phenylpyridin-3-ylcarbamate
CAS Number:
941271-13-2
Molecular Formula:
C16H17IN2O2
Molecular Weight:
396.2228
MDL Number:
MFCD11053564
IUPAC Name:
tert-butyl N-(4-iodo-6-phenylpyridin-3-yl)carbamate
InChI:
InChI=1S/C16H17IN2O2/c1-16(2,3)21-15(20)19-14-10-18-13(9-12(14)17)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20)
InChI Key:
SRMHVFZNJSVRCQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc(cc1I)c1ccccc1)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.228g/mol
Monoisotopic Mass:
396.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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