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Home > Aldehydes > 213620-52-1
213620-52-1 | Benzaldehyde, 5-bromo-2-methoxy-3-nitro-
CAS No: 213620-52-1 Catalog No: AG0072NY MDL No:
Product Description
Catalog Number:
AG0072NY
Chemical Name:
Benzaldehyde, 5-bromo-2-methoxy-3-nitro-
CAS Number:
213620-52-1
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
IUPAC Name:
5-bromo-2-methoxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H6BrNO4/c1-14-8-5(4-11)2-6(9)3-7(8)10(12)13/h2-4H,1H3
InChI Key:
RKGYFJLNIYXLMC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1OC)[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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