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Home > Nitro Compounds > 20876-37-3
20876-37-3 | Benzene, 2-methyl-1-nitro-3-(phenylmethoxy)-
CAS No: 20876-37-3 Catalog No: AG002JWA MDL No:MFCD00100652
Product Description
Catalog Number:
AG002JWA
Chemical Name:
Benzene, 2-methyl-1-nitro-3-(phenylmethoxy)-
CAS Number:
20876-37-3
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD00100652
IUPAC Name:
2-methyl-1-nitro-3-phenylmethoxybenzene
InChI:
InChI=1S/C14H13NO3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChI Key:
PBSZHNXXFIYDBU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)OCc1ccccc1
NSC Number:
158558
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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