| CAS Number | 868735-81-3 |
| Catalog Number | AG00IE8R(AGN-PC-0WD4WU) |
| Chemical Name | Benzene, 2,3-difluoro-1-nitro-4-(phenylmethoxy)- |
| IUPAC Name | 2,3-difluoro-1-nitro-4-phenylmethoxybenzene |
| InChI | InChI=1S/C13H9F2NO3/c14-12-10(16(17)18)6-7-11(13(12)15)19-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | CEPXFJNTZQMVSD-UHFFFAOYSA-N |
| MDL Number | MFCD27939032 |
| Molecular Formula | C13H9F2NO3 |
| Molecular Weight | 265.2123 |
| SMILES | O(Cc1ccccc1)c1c(F)c(F)c(cc1)N(=O)=O |
| Synonyms | 1-(Benzyloxy)-2,3-difluoro-4-nitrobenzene,
868735-81-3,
SCHEMBL573839,
KS-00001BGL,
CEPXFJNTZQMVSD-UHFFFAOYSA-N,
MFCD27939032,
ZINC88260413,
AKOS022187272,
1-benzyloxy-2,3-difluoro-4-nitrobenzene,
1-benzyloxy-2,3-difluoro-4-nitro-benzene,
AJ-128204,
2,3-difluoro-1-nitro-4-phenylmethoxybenzene,
CS-0036539,
1-(benzyloxy)-2.3-difluoro-4-nitrobenzene,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.216g/mol |
| Monoisotopic Mass | 265.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number