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Home > Nitro Compounds > 1049751-39-4

1049751-39-4

1049751-39-4 | 1-(4-Nitrophenylsulfonyl)piperazine, HCl

CAS No: 1049751-39-4 Catalog No: AG00HAJ5 MDL No:MFCD07286044

Product Description

Catalog Number:
AG00HAJ5
Chemical Name:
1-(4-Nitrophenylsulfonyl)piperazine, HCl
CAS Number:
1049751-39-4
Molecular Formula:
C10H14ClN3O4S
Molecular Weight:
307.7539
MDL Number:
MFCD07286044
IUPAC Name:
1-(4-nitrophenyl)sulfonylpiperazine;hydrochloride
InChI:
InChI=1S/C10H13N3O4S.ClH/c14-13(15)9-1-3-10(4-2-9)18(16,17)12-7-5-11-6-8-12;/h1-4,11H,5-8H2;1H
InChI Key:
JTPWHBIELFPYCZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])N1CCNCC1.Cl

Properties

Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.039g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.749g/mol
Monoisotopic Mass:
307.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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