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205652-99-9 | 2-Bromo-6-hydroxy-5-methoxy-3-nitro-benzaldehyde
CAS No: 205652-99-9 Catalog No: AG01EUI3 MDL No:
Product Description
Catalog Number:
AG01EUI3
Chemical Name:
2-Bromo-6-hydroxy-5-methoxy-3-nitro-benzaldehyde
CAS Number:
205652-99-9
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
IUPAC Name:
2-bromo-6-hydroxy-5-methoxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO5/c1-15-6-2-5(10(13)14)7(9)4(3-11)8(6)12/h2-3,12H,1H3
InChI Key:
GVGPCXQPEWSGGZ-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1O)C=O)Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.943g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.042g/mol
Monoisotopic Mass:
274.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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