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16634-88-1 | Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-
CAS No: 16634-88-1 Catalog No: AG001WNW MDL No:MFCD00130110
Product Description
Catalog Number:
AG001WNW
Chemical Name:
Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-
CAS Number:
16634-88-1
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD00130110
IUPAC Name:
5-bromo-2-hydroxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
InChI Key:
YEYPSUQQZNDKDE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1O)[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.932g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.016g/mol
Monoisotopic Mass:
244.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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