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98555-49-8 | 3-Bromo-4-hydroxy-5-nitrobenzaldehyde
CAS No: 98555-49-8 Catalog No: AG0067XY MDL No:MFCD02629362
Product Description
Catalog Number:
AG0067XY
Chemical Name:
3-Bromo-4-hydroxy-5-nitrobenzaldehyde
CAS Number:
98555-49-8
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD02629362
IUPAC Name:
3-bromo-4-hydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C7H4BrNO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H
InChI Key:
QBGJRIICMHIJJR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)[N+](=O)[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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