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Home > Nitro Compounds > 1233955-44-6
1233955-44-6 | 1-(4-Nitrophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS No: 1233955-44-6 Catalog No: AG01ER6G MDL No:
Product Description
Catalog Number:
AG01ER6G
Chemical Name:
1-(4-Nitrophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS Number:
1233955-44-6
Molecular Formula:
C12H17ClN4O3
Molecular Weight:
300.7414
IUPAC Name:
1-(4-nitrophenyl)-3-piperidin-4-ylurea;hydrochloride
InChI:
InChI=1S/C12H16N4O3.ClH/c17-12(15-10-5-7-13-8-6-10)14-9-1-3-11(4-2-9)16(18)19;/h1-4,10,13H,5-8H2,(H2,14,15,17);1H
InChI Key:
VDDDHLYYXKHBDO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])NC1CCNCC1.Cl
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.743g/mol
Monoisotopic Mass:
300.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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