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2091763-35-6 | tert-butyl N-[6-(iodomethyl)pyridazin-3-yl]carbamate
CAS No: 2091763-35-6 Catalog No: AG01BSRK MDL No:MFCD30538979
Product Description
Catalog Number:
AG01BSRK
Chemical Name:
tert-butyl N-[6-(iodomethyl)pyridazin-3-yl]carbamate
CAS Number:
2091763-35-6
Molecular Formula:
C10H14IN3O2
Molecular Weight:
335.1415
MDL Number:
MFCD30538979
IUPAC Name:
tert-butyl N-[6-(iodomethyl)pyridazin-3-yl]carbamate
InChI:
InChI=1S/C10H14IN3O2/c1-10(2,3)16-9(15)12-8-5-4-7(6-11)13-14-8/h4-5H,6H2,1-3H3,(H,12,14,15)
InChI Key:
ISGFBUFDRJTKHG-UHFFFAOYSA-N
SMILES:
ICc1ccc(nn1)NC(=O)OC(C)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.145g/mol
Monoisotopic Mass:
335.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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