| CAS Number | 3079-53-6 |
| Catalog Number | AG0031AT(AGN-PC-0JTCTC) |
| Chemical Name | Benzene, 1-nitro-2-propoxy- |
| IUPAC Name | 1-nitro-2-propoxybenzene |
| InChI | InChI=1S/C9H11NO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3 |
| InChI Key | IGIBTRWOXSIMMM-UHFFFAOYSA-N |
| MDL Number | MFCD28122812 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCCOC1=C([N+]([O-])=O)C=CC=C1 |
| Synonyms | 1-Nitro-2-propoxybenzene,
3079-53-6,
Benzene, 1-nitro-2-propoxy-,
IGIBTRWOXSIMMM-UHFFFAOYSA-N,
o-nitrophenyl propyl ether,
o-Propoxynitrobenzene,
AC1LBQZE,
1-Propoxy-2-nitrobenzene,
1-Nitro-2-propoxybenzene #,
SCHEMBL3464612,
CTK1C0190,
DTXSID20343108,
ZINC32179171,
AKOS027256926,
SY028367,
MFCD28122812 (95%),
CID587497,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number