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Home > Aldehydes > 861522-37-4
861522-37-4 | 3-Bromo-5,6-dimethoxy-2-nitro-benzaldehyde
CAS No: 861522-37-4 Catalog No: AG01EXVQ MDL No:
Product Description
Catalog Number:
AG01EXVQ
Chemical Name:
3-Bromo-5,6-dimethoxy-2-nitro-benzaldehyde
CAS Number:
861522-37-4
Molecular Formula:
C9H8BrNO5
Molecular Weight:
290.0675
IUPAC Name:
5-bromo-2,3-dimethoxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C9H8BrNO5/c1-15-7-3-6(10)8(11(13)14)5(4-12)9(7)16-2/h3-4H,1-2H3
InChI Key:
USMPGJSZPRZGMQ-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c(c1C=O)[N+](=O)[O-])Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.959g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.069g/mol
Monoisotopic Mass:
288.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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