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18002-41-0 | Benzaldehyde, 2-nitro-4,5-bis(phenylmethoxy)-
CAS No: 18002-41-0 Catalog No: AG0021ME MDL No:
Product Description
Catalog Number:
AG0021ME
Chemical Name:
Benzaldehyde, 2-nitro-4,5-bis(phenylmethoxy)-
CAS Number:
18002-41-0
Molecular Formula:
C21H17NO5
Molecular Weight:
363.3634
IUPAC Name:
2-nitro-4,5-bis(phenylmethoxy)benzaldehyde
InChI:
InChI=1S/C21H17NO5/c23-13-18-11-20(26-14-16-7-3-1-4-8-16)21(12-19(18)22(24)25)27-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChI Key:
CZNKDSCSXHFDPU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OCc2ccccc2)c(cc1[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.369g/mol
Monoisotopic Mass:
363.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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