| CAS Number | 5568-33-2 |
| Catalog Number | AG00DH63(AGN-PC-0JP3HF) |
| Chemical Name | 2-Chloro-4-nitrobenzaldehyde |
| IUPAC Name | 2-chloro-4-nitrobenzaldehyde |
| InChI | InChI=1S/C7H4ClNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H |
| InChI Key | GVBXZIANHMNKAK-UHFFFAOYSA-N |
| MDL Number | MFCD09842446 |
| Molecular Formula | C7H4ClNO3 |
| Molecular Weight | 185.5646 |
| NSC Number | 127469 |
| SMILES | O=CC1=CC=C([N+]([O-])=O)C=C1Cl |
| Synonyms | 2-Chloro-4-nitrobenzaldehyde,
5568-33-2,
Benzaldehyde, 2-chloro-4-nitro-,
NSC127469,
AC1L5NHV,
AC1Q6Q6I,
SCHEMBL1195413,
Benzaldehyde,2-chloro-4-nitro-,
CTK5A4003,
DTXSID40299012,
GVBXZIANHMNKAK-UHFFFAOYSA-N,
ZINC1715835,
AKOS006280814,
NE27448,
NSC-127469,
AR-1E0263,
CID278166,
56125-08-7,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.563g/mol |
| Monoisotopic Mass | 184.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number