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Home > Aldehydes > 311318-69-1
311318-69-1 | 3-Bromo-2-hydroxy-4-methyl-5-nitro-benzaldehyde
CAS No: 311318-69-1 Catalog No: AG01EUUP MDL No:
Product Description
Catalog Number:
AG01EUUP
Chemical Name:
3-Bromo-2-hydroxy-4-methyl-5-nitro-benzaldehyde
CAS Number:
311318-69-1
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
IUPAC Name:
3-bromo-2-hydroxy-4-methyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO4/c1-4-6(10(13)14)2-5(3-11)8(12)7(4)9/h2-3,12H,1H3
InChI Key:
MECKKILDUVOQKH-UHFFFAOYSA-N
SMILES:
O=Cc1cc([N+](=O)[O-])c(c(c1O)Br)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:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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