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Home > Aldehydes > 1156237-45-4
1156237-45-4 | Benzaldehyde, 5-nitro-2-(3-phenylpropoxy)-
CAS No: 1156237-45-4 Catalog No: AG000GA1 MDL No:
Product Description
Catalog Number:
AG000GA1
Chemical Name:
Benzaldehyde, 5-nitro-2-(3-phenylpropoxy)-
CAS Number:
1156237-45-4
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
5-nitro-2-(3-phenylpropoxy)benzaldehyde
InChI:
InChI=1S/C16H15NO4/c18-12-14-11-15(17(19)20)8-9-16(14)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2
InChI Key:
FYLRUBWUMSPCRS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OCCCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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