| CAS Number | 76464-61-4 |
| Catalog Number | AG005BPE(AGN-PC-0WD0O4) |
| Chemical Name | 2-(Benzyloxy)-1-chloro-4-nitrobenzene |
| IUPAC Name | 1-chloro-4-nitro-2-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10ClNO3/c14-12-7-6-11(15(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | DXQRYHUPOMREGK-UHFFFAOYSA-N |
| MDL Number | MFCD21333107 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.6764 |
| SMILES | ClC1=CC=C(C=C1OCC1C=CC=CC=1)[N+](=O)[O-] |
| Synonyms | 2-(Benzyloxy)-1-chloro-4-nitrobenzene,
76464-61-4,
ACMC-209p3l,
SCHEMBL944185,
CTK8B2295,
DTXSID70512221,
DXQRYHUPOMREGK-UHFFFAOYSA-N,
ANW-36799,
MFCD21333107,
ZINC77032257,
2-benzyloxy-1-chloro-4-nitro-benzene,
AKOS015999634,
AJ-122587,
TC-125544,
ST24021830,
V7666,
B-8750,
C13H10ClNO3,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.677g/mol |
| Monoisotopic Mass | 263.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number