| CAS Number | 61239-34-7 |
| Catalog Number | AG00ELSH(AGN-PC-0ODB47) |
| Chemical Name | N-(4-Chlorophenyl)-3-(hydroxyamino)-3-iminopropanamide |
| IUPAC Name | (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide |
| InChI | InChI=1S/C9H10ClN3O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14) |
| InChI Key | BNRCGWOSLOTALI-UHFFFAOYSA-N |
| MDL Number | MFCD00449062 |
| Molecular Formula | C9H10ClN3O2 |
| Molecular Weight | 227.6476 |
| SMILES | NC(CC(NC1=CC=C(Cl)C=C1)=O)=NO |
| Synonyms | 61239-34-7,
N-(4-Chlorophenyl)-3-(hydroxyamino)-3-iminopropanamide,
n-(4-chloro-phenyl)-2-(n-hydroxycarbamimidoyl)-acetamide,
EN300-04031,
AC1NSWU6,
AC1Q3OHF,
MFCD23701599,
ZINC12504601,
AKOS001038220,
AKOS016009746,
NE42884,
AS-40522,
4CH-022081,
SR-01000039836,
SR-01000039836-1,
N-(4-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)acetamide,
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide,
AR-1J9082,
ZINC04801704,
CID5371621,
61696-01-3,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 227.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.648g/mol |
| Monoisotopic Mass | 227.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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