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Home > Aldehydes > 736137-85-2
736137-85-2 | Benzaldehyde, 3-methoxy-4-nitro-2-(phenylmethoxy)-
CAS No: 736137-85-2 Catalog No: AG008QFE MDL No:
Product Description
Catalog Number:
AG008QFE
Chemical Name:
Benzaldehyde, 3-methoxy-4-nitro-2-(phenylmethoxy)-
CAS Number:
736137-85-2
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
3-methoxy-4-nitro-2-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C15H13NO5/c1-20-15-13(16(18)19)8-7-12(9-17)14(15)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
PDHBQHJPMOPHET-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1OCc1ccccc1)OC)[N+](=O)[O-]
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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