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130400-55-4 | Pyridine, 2-chloro-5-[2-(nitromethylene)-1-imidazolidinyl]-
CAS No: 130400-55-4 Catalog No: AG000UDU MDL No:
Product Description
Catalog Number:
AG000UDU
Chemical Name:
Pyridine, 2-chloro-5-[2-(nitromethylene)-1-imidazolidinyl]-
CAS Number:
130400-55-4
Molecular Formula:
C9H9ClN4O2
Molecular Weight:
240.6464
IUPAC Name:
2-chloro-5-[2-(nitromethylidene)imidazolidin-1-yl]pyridine
InChI:
InChI=1S/C9H9ClN4O2/c10-8-2-1-7(5-12-8)13-4-3-11-9(13)6-14(15)16/h1-2,5-6,11H,3-4H2
InChI Key:
BONVNNBQRUDIOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1NCCN1c1ccc(nc1)Cl
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.647g/mol
Monoisotopic Mass:
240.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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