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Home > Aldehydes > 900174-36-9
900174-36-9 | Benzaldehyde, 2-[(1-methylethyl)thio]-5-nitro-
CAS No: 900174-36-9 Catalog No: AG006M4Y MDL No:
Product Description
Catalog Number:
AG006M4Y
Chemical Name:
Benzaldehyde, 2-[(1-methylethyl)thio]-5-nitro-
CAS Number:
900174-36-9
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
5-nitro-2-propan-2-ylsulfanylbenzaldehyde
InChI:
InChI=1S/C10H11NO3S/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-7H,1-2H3
InChI Key:
ZQINYAVNNDZHIT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1SC(C)C)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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