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Home > Nitro Compounds > 95443-41-7
95443-41-7 | 1-(3-Nitropyridin-2-yl)azepane
CAS No: 95443-41-7 Catalog No: AG00IJ4Q MDL No:
Product Description
Catalog Number:
AG00IJ4Q
Chemical Name:
1-(3-Nitropyridin-2-yl)azepane
CAS Number:
95443-41-7
IUPAC Name:
1-(3-nitropyridin-2-yl)azepane
InChI:
InChI=1S/C11H15N3O2/c15-14(16)10-6-5-7-12-11(10)13-8-3-1-2-4-9-13/h5-7H,1-4,8-9H2
InChI Key:
RLYKPJZAGVYWRU-UHFFFAOYSA-N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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