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1167056-06-5 | Carbamic acid, N-(5-iodo-3-pyridinyl)-, methyl ester
CAS No: 1167056-06-5 Catalog No: AG000D2L MDL No:
Product Description
Catalog Number:
AG000D2L
Chemical Name:
Carbamic acid, N-(5-iodo-3-pyridinyl)-, methyl ester
CAS Number:
1167056-06-5
Molecular Formula:
C7H7IN2O2
Molecular Weight:
278.0471
IUPAC Name:
methyl N-(5-iodopyridin-3-yl)carbamate
InChI:
InChI=1S/C7H7IN2O2/c1-12-7(11)10-6-2-5(8)3-9-4-6/h2-4H,1H3,(H,10,11)
InChI Key:
KNWSSVGFOZCFQF-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cncc(c1)I
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.955g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.049g/mol
Monoisotopic Mass:
277.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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