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Home > Aldehydes > 886504-41-2
886504-41-2 | 5-Chloro-2-hydroxy-4-methyl-3-nitro-benzaldehyde
CAS No: 886504-41-2 Catalog No: AG01EYFV MDL No:
Product Description
Catalog Number:
AG01EYFV
Chemical Name:
5-Chloro-2-hydroxy-4-methyl-3-nitro-benzaldehyde
CAS Number:
886504-41-2
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
IUPAC Name:
5-chloro-2-hydroxy-4-methyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H6ClNO4/c1-4-6(9)2-5(3-11)8(12)7(4)10(13)14/h2-3,12H,1H3
InChI Key:
KSNUVJMFXGJUKA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(c(c1O)[N+](=O)[O-])C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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