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Home > Aldehydes > 886498-24-4
886498-24-4 | 3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde
CAS No: 886498-24-4 Catalog No: AG01EYCP MDL No:
Product Description
Catalog Number:
AG01EYCP
Chemical Name:
3-Bromo-2-hydroxy-4,6-dimethyl-5-nitro-benzaldehyde
CAS Number:
886498-24-4
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
3-bromo-2-hydroxy-4,6-dimethyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C9H8BrNO4/c1-4-6(3-12)9(13)7(10)5(2)8(4)11(14)15/h3,13H,1-2H3
InChI Key:
NDJODFXHEPTGTN-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)c(Br)c(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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