Home Nitros 2-nitro-3-(phenylsulfanyl)aniline

2-nitro-3-(phenylsulfanyl)aniline

CAS No.:
1525433-40-2
Catalog Number:
AG01C5SH
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
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Product Description
Catalog Number:
AG01C5SH
Chemical Name:
2-nitro-3-(phenylsulfanyl)aniline
CAS Number:
1525433-40-2
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
MDL Number:
MFCD23020623
IUPAC Name:
2-nitro-3-phenylsulfanylaniline
InChI:
InChI=1S/C12H10N2O2S/c13-10-7-4-8-11(12(10)14(15)16)17-9-5-2-1-3-6-9/h1-8H,13H2
InChI Key:
JDFGCWQJPMUGEK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1N)Sc1ccccc1
Properties
Complexity:
264  
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:
3.7  
Properties