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857266-59-2 | t-Butyl (5-iodopyridin-3-yl)carbamate
CAS No: 857266-59-2 Catalog No: AG004SEG MDL No:MFCD12407799
Product Description
Catalog Number:
AG004SEG
Chemical Name:
t-Butyl (5-iodopyridin-3-yl)carbamate
CAS Number:
857266-59-2
Molecular Formula:
C10H13IN2O2
Molecular Weight:
320.1269
MDL Number:
MFCD12407799
IUPAC Name:
tert-butyl N-(5-iodopyridin-3-yl)carbamate
InChI:
InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h4-6H,1-3H3,(H,13,14)
InChI Key:
LJDJSMUHCDSOSH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cncc(c1)I
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.13g/mol
Monoisotopic Mass:
320.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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