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Home > Nitro Compounds > 1417793-88-4
1417793-88-4 | 1-(3-methoxy-4-nitrophenyl)-3-methylpiperazine;hydrochloride
CAS No: 1417793-88-4 Catalog No: AG01DDIL MDL No:MFCD22631772
Product Description
Catalog Number:
AG01DDIL
Chemical Name:
1-(3-methoxy-4-nitrophenyl)-3-methylpiperazine;hydrochloride
CAS Number:
1417793-88-4
Molecular Formula:
C12H18ClN3O3
Molecular Weight:
287.7426
MDL Number:
MFCD22631772
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)-3-methylpiperazine;hydrochloride
InChI:
InChI=1S/C12H17N3O3.ClH/c1-9-8-14(6-5-13-9)10-3-4-11(15(16)17)12(7-10)18-2;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H
InChI Key:
PLAHBXXDYNHCFJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCNC(C1)C.Cl
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.744g/mol
Monoisotopic Mass:
287.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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