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Home > Nitro Compounds > 1064662-53-8
1064662-53-8 | 2-[[4-NITRO-2-(PHENYLMETHOXY)PHENOXY]METHYL]OXIRANE
CAS No: 1064662-53-8 Catalog No: AG00HATC MDL No:MFCD15144533
Product Description
Catalog Number:
AG00HATC
Chemical Name:
2-[[4-NITRO-2-(PHENYLMETHOXY)PHENOXY]METHYL]OXIRANE
CAS Number:
1064662-53-8
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
MDL Number:
MFCD15144533
IUPAC Name:
2-[(4-nitro-2-phenylmethoxyphenoxy)methyl]oxirane
InChI:
InChI=1S/C16H15NO5/c18-17(19)13-6-7-15(22-11-14-10-20-14)16(8-13)21-9-12-4-2-1-3-5-12/h1-8,14H,9-11H2
InChI Key:
JQPUUZRWDVLPNO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)OCc1ccccc1)OCC1CO1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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