| CAS Number | 861207-68-3 |
| Catalog Number | AG00IOME(AGN-PC-0WARYZ) |
| Chemical Name | N-[(3-chloro-4-methoxyphenyl)methylidene]hydroxylamine |
| IUPAC Name | N-[(3-chloro-4-methoxyphenyl)methylidene]hydroxylamine |
| InChI | InChI=1S/C8H8ClNO2/c1-12-8-3-2-6(5-10-11)4-7(8)9/h2-5,11H,1H3 |
| InChI Key | HVLSMUKUKRFWAQ-UHFFFAOYSA-N |
| MDL Number | MFCD04124816 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | COC1=C(Cl)C=C(C=NO)C=C1 |
| Synonyms | 3-chloro-4-methoxybenzenecarbaldehyde oxime,
861207-68-3,
AC1MWZDF,
Bionet2_001563,
(E)-N-[(3-chloro-4-methoxyphenyl)methylidene]hydroxylamine,
SCHEMBL2165009,
KS-00001U7K,
AKOS017404927,
MCULE-5144438216,
N-[(3-chloro-4-methoxyphenyl)methylidene]hydroxylamine,
ZINC04089550,
CID3782322,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number