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2450-27-3 | Benzaldehyde, 3-methoxy-2-nitro-4-(phenylmethoxy)-
CAS No: 2450-27-3 Catalog No: AG002OD1 MDL No:MFCD22055797
Product Description
Catalog Number:
AG002OD1
Chemical Name:
Benzaldehyde, 3-methoxy-2-nitro-4-(phenylmethoxy)-
CAS Number:
2450-27-3
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
MDL Number:
MFCD22055797
IUPAC Name:
3-methoxy-2-nitro-4-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C15H13NO5/c1-20-15-13(21-10-11-5-3-2-4-6-11)8-7-12(9-17)14(15)16(18)19/h2-9H,10H2,1H3
InChI Key:
GWLAEBPGTQVKBA-UHFFFAOYSA-N
SMILES:
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C=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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