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101336-63-4 | Pyridine, 2-chloro-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]-
CAS No: 101336-63-4 Catalog No: AG00049A MDL No:MFCD05670547
Product Description
Catalog Number:
AG00049A
Chemical Name:
Pyridine, 2-chloro-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]-
CAS Number:
101336-63-4
Molecular Formula:
C10H11ClN4O2
Molecular Weight:
254.6729
MDL Number:
MFCD05670547
IUPAC Name:
2-chloro-5-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
InChI:
InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2
InChI Key:
ALNDHUQPXHHNON-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1NCCN1Cc1ccc(nc1)Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.674g/mol
Monoisotopic Mass:
254.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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