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Home > Nitro Compounds > 1233952-98-1
1233952-98-1 | 1-(2-Nitrophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS No: 1233952-98-1 Catalog No: AG01ER64 MDL No:
Product Description
Catalog Number:
AG01ER64
Chemical Name:
1-(2-Nitrophenyl)-3-(piperidin-4-yl)ureahydrochloride
CAS Number:
1233952-98-1
Molecular Formula:
C12H17ClN4O3
Molecular Weight:
300.7414
IUPAC Name:
1-(2-nitrophenyl)-3-piperidin-4-ylurea;hydrochloride
InChI:
InChI=1S/C12H16N4O3.ClH/c17-12(14-9-5-7-13-8-6-9)15-10-3-1-2-4-11(10)16(18)19;/h1-4,9,13H,5-8H2,(H2,14,15,17);1H
InChI Key:
SXEVNMDURDCEPA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])NC1CCNCC1.Cl
Properties
Complexity:
325
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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