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133041-83-5 | Benzenamine, N,N-bis(2-chloroethyl)-4-[(4-nitrophenyl)thio]-
CAS No: 133041-83-5 Catalog No: AG0011KQ MDL No:
Product Description
Catalog Number:
AG0011KQ
Chemical Name:
Benzenamine, N,N-bis(2-chloroethyl)-4-[(4-nitrophenyl)thio]-
CAS Number:
133041-83-5
Molecular Formula:
C16H16Cl2N2O2S
Molecular Weight:
371.2814
IUPAC Name:
N,N-bis(2-chloroethyl)-4-(4-nitrophenyl)sulfanylaniline
InChI:
InChI=1S/C16H16Cl2N2O2S/c17-9-11-19(12-10-18)13-1-5-15(6-2-13)23-16-7-3-14(4-8-16)20(21)22/h1-8H,9-12H2
InChI Key:
AIACGJOEAGBUBP-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])CCCl
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.031g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.276g/mol
Monoisotopic Mass:
370.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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