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405939-28-8 | (4-IODO-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 405939-28-8 Catalog No: AG00BYJ3 MDL No:MFCD08235129
Product Description
Catalog Number:
AG00BYJ3
Chemical Name:
(4-IODO-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
405939-28-8
Molecular Formula:
C10H13IN2O2
Molecular Weight:
320.1269
MDL Number:
MFCD08235129
IUPAC Name:
tert-butyl N-(4-iodopyridin-2-yl)carbamate
InChI:
InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:
TTYADBPTZJSAMH-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(c1)I)OC(C)(C)C
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:
2.4
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