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834-65-1 | 1-(3-chlorophenyl)-4-(naphthalen-1-ylmethyl)piperazine
CAS No: 834-65-1 Catalog No: AG004VBH MDL No:
Product Description
Catalog Number:
AG004VBH
Chemical Name:
1-(3-chlorophenyl)-4-(naphthalen-1-ylmethyl)piperazine
CAS Number:
834-65-1
Molecular Formula:
C21H21ClN2
Molecular Weight:
336.8578
IUPAC Name:
N-(2-chloroethyl)-4-methyl-N-nitrosobenzenesulfonamide
InChI:
InChI=1S/C9H11ClN2O3S/c1-8-2-4-9(5-3-8)16(14,15)12(11-13)7-6-10/h2-5H,6-7H2,1H3
InChI Key:
MXKIEKHOTITTDH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCN(CC1)Cc1cccc2c1cccc2
NSC Number:
45628
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.708g/mol
Monoisotopic Mass:
262.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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