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312327-13-2 | 3-Benzyloxy-4-hydroxy-5-nitro-benzaldehyde
CAS No: 312327-13-2 Catalog No: AG00BI1B MDL No:
Product Description
Catalog Number:
AG00BI1B
Chemical Name:
3-Benzyloxy-4-hydroxy-5-nitro-benzaldehyde
CAS Number:
312327-13-2
IUPAC Name:
4-hydroxy-3-nitro-5-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H11NO5/c16-8-11-6-12(15(18)19)14(17)13(7-11)20-9-10-4-2-1-3-5-10/h1-8,17H,9H2
InChI Key:
RBFYGGFRKKVCGE-UHFFFAOYSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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