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246021-94-3 | 2-iodopyridin-3-yl N-(4-nitrophenyl)carbamate
CAS No: 246021-94-3 Catalog No: AG00IONT MDL No:MFCD00140386
Product Description
Catalog Number:
AG00IONT
Chemical Name:
2-iodopyridin-3-yl N-(4-nitrophenyl)carbamate
CAS Number:
246021-94-3
Molecular Formula:
C12H8IN3O4
Molecular Weight:
385.1141
MDL Number:
MFCD00140386
IUPAC Name:
(2-iodopyridin-3-yl) N-(4-nitrophenyl)carbamate
InChI:
InChI=1S/C12H8IN3O4/c13-11-10(2-1-7-14-11)20-12(17)15-8-3-5-9(6-4-8)16(18)19/h1-7H,(H,15,17)
InChI Key:
CDQKNAFIBICOSF-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccnc1I)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.956g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.117g/mol
Monoisotopic Mass:
384.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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