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Home > Nitro Compounds > 73595-67-2
73595-67-2 | N-[3-(methylsulfanyl)propyl]-4-nitroaniline
CAS No: 73595-67-2 Catalog No: AG01AZ9D MDL No:MFCD12038291
Product Description
Catalog Number:
AG01AZ9D
Chemical Name:
N-[3-(methylsulfanyl)propyl]-4-nitroaniline
CAS Number:
73595-67-2
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD12038291
IUPAC Name:
N-(3-methylsulfanylpropyl)-4-nitroaniline
InChI:
InChI=1S/C10H14N2O2S/c1-15-8-2-7-11-9-3-5-10(6-4-9)12(13)14/h3-6,11H,2,7-8H2,1H3
InChI Key:
XRLQQWBCFCBKBR-UHFFFAOYSA-N
SMILES:
CSCCCNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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