| CAS Number | 7147-44-6 |
| Catalog Number | AG005TQC(AGN-PC-0JNCWC) |
| Chemical Name | 4-(methylamino)-4-oxobut-2-enoic acid |
| IUPAC Name | (NE)-N-[1-(2-chlorophenyl)ethylidene]hydroxylamine |
| InChI | InChI=1S/C8H8ClNO/c1-6(10-11)7-4-2-3-5-8(7)9/h2-5,11H,1H3/b10-6+ |
| InChI Key | MBKGQYQOTXYSRQ-UXBLZVDNSA-N |
| MDL Number | MFCD00219817 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| NSC Number | 12933 |
| SMILES | C1=CC=C(Cl)C(/C(=N/O)/C)=C1 |
| Synonyms | 2'-Chloroacetophenone oxime,
7147-44-6,
1-(2-chlorophenyl)-n-hydroxyethanimine,
1-(2-chlorophenyl)ethanone oxime,
NSC12933,
N-[1-(2-chlorophenyl)ethylidene]hydroxylamine,
AC1Q3P81,
SCHEMBL5664854,
SCHEMBL17134109,
HMS1442J07,
NSC-12933,
AKOS016036741,
IDI1_015464,
4-Chloroacetophenone oxime,
KST-1B9227,
AR-1B0708,
CID9584509,
91914-04-4,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 169.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.608g/mol |
| Monoisotopic Mass | 169.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number