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16789-84-7 | Benzaldehyde, 3-bromo-2-hydroxy-5-nitro-
CAS No: 16789-84-7 Catalog No: AG001XOI MDL No:MFCD00051833
Product Description
Catalog Number:
AG001XOI
Chemical Name:
Benzaldehyde, 3-bromo-2-hydroxy-5-nitro-
CAS Number:
16789-84-7
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD00051833
IUPAC Name:
3-bromo-2-hydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C7H4BrNO4/c8-6-2-5(9(12)13)1-4(3-10)7(6)11/h1-3,11H
InChI Key:
BESBCGANGAEHPM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)Br)[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:
2.9
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