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36225-16-8 | Benzaldehyde,6-bromo-4-hydroxy-3-methoxy-2-nitro-
CAS No: 36225-16-8 Catalog No: AG007ACB MDL No:
Product Description
Catalog Number:
AG007ACB
Chemical Name:
Benzaldehyde,6-bromo-4-hydroxy-3-methoxy-2-nitro-
CAS Number:
36225-16-8
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
IUPAC Name:
6-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO5/c1-15-8-6(12)2-5(9)4(3-11)7(8)10(13)14/h2-3,12H,1H3
InChI Key:
VWVFLPUKZSZXSM-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(c(c1[N+](=O)[O-])C=O)Br
NSC Number:
95681
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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