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299425-74-4 | 3-methyl-1-(2-nitrophenyl)piperazine hydrochloride
CAS No: 299425-74-4 Catalog No: AG00J3HX MDL No:MFCD00545968
Product Description
Catalog Number:
AG00J3HX
Chemical Name:
3-methyl-1-(2-nitrophenyl)piperazine hydrochloride
CAS Number:
299425-74-4
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
MDL Number:
MFCD00545968
IUPAC Name:
3-methyl-1-(2-nitrophenyl)piperazine;hydrochloride
InChI:
InChI=1S/C11H15N3O2.ClH/c1-9-8-13(7-6-12-9)10-4-2-3-5-11(10)14(15)16;/h2-5,9,12H,6-8H2,1H3;1H
InChI Key:
BNBQMZUATAPXAE-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1ccccc1[N+](=O)[O-].Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.718g/mol
Monoisotopic Mass:
257.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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