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1144-81-6

1144-81-6 | Benzenamine, 4-[(2-nitrophenyl)thio]-

CAS No: 1144-81-6 Catalog No: AG000B9E MDL No:

Product Description

Catalog Number:
AG000B9E
Chemical Name:
Benzenamine, 4-[(2-nitrophenyl)thio]-
CAS Number:
1144-81-6
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
IUPAC Name:
4-(2-nitrophenyl)sulfanylaniline
InChI:
InChI=1S/C12H10N2O2S/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H,13H2
InChI Key:
BYVYWEWQOWXWQZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1ccccc1[N+](=O)[O-]

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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