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98434-34-5 | 3-METHOXY-2-NITRO-4-HYDROXY-5-BROMO-BENZALDEHYDE
CAS No: 98434-34-5 Catalog No: AG005UYB MDL No:
Product Description
Catalog Number:
AG005UYB
Chemical Name:
3-METHOXY-2-NITRO-4-HYDROXY-5-BROMO-BENZALDEHYDE
CAS Number:
98434-34-5
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
IUPAC Name:
5-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO5/c1-15-8-6(10(13)14)4(3-11)2-5(9)7(8)12/h2-3,12H,1H3
InChI Key:
XAZNBZJAJJLBJC-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c(C=O)cc(c1O)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:
1.5
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