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Home > Aldehydes > 849035-66-1
849035-66-1 | 4-(Methylsulfonyl);-2-nitrobenzaldehyde
CAS No: 849035-66-1 Catalog No: AG004M8K MDL No:MFCD04037929
Product Description
Catalog Number:
AG004M8K
Chemical Name:
4-(Methylsulfonyl);-2-nitrobenzaldehyde
CAS Number:
849035-66-1
Molecular Formula:
C8H7NO5S
Molecular Weight:
229.2099
MDL Number:
MFCD04037929
IUPAC Name:
4-methylsulfonyl-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5S/c1-15(13,14)7-3-2-6(5-10)8(4-7)9(11)12/h2-5H,1H3
InChI Key:
HUGPVFHLSSCVSM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.206g/mol
Monoisotopic Mass:
229.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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