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Home > Aldehydes > 159730-72-0
159730-72-0 | 2-Bromo-4-methyl-5-nitrobenzaldehyde
CAS No: 159730-72-0 Catalog No: AG007DC0 MDL No:MFCD13185992
Product Description
Catalog Number:
AG007DC0
Chemical Name:
2-Bromo-4-methyl-5-nitrobenzaldehyde
CAS Number:
159730-72-0
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
MDL Number:
MFCD13185992
IUPAC Name:
2-bromo-4-methyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3
InChI Key:
OKHCEMLRYRLMEX-UHFFFAOYSA-N
SMILES:
O=Cc1cc([N+](=O)[O-])c(cc1Br)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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