| CAS Number | 260559-52-2 |
| Catalog Number | AG002RJI(AGN-PC-0NEXTJ) |
| Chemical Name | tert-Butyl (4-chloro-2-formylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(4-chloro-2-formylphenyl)carbamate |
| InChI | InChI=1S/C12H14ClNO3/c1-12(2,3)17-11(16)14-10-5-4-9(13)6-8(10)7-15/h4-7H,1-3H3,(H,14,16) |
| InChI Key | JWVMHZGCQHJZFQ-UHFFFAOYSA-N |
| MDL Number | MFCD11111378 |
| Molecular Formula | C12H14ClNO3 |
| Molecular Weight | 255.6975 |
| SMILES | CC(OC(NC1=C(C=O)C=C(Cl)C=C1)=O)(C)C |
| Synonyms | 260559-52-2,
tert-Butyl (4-chloro-2-formylphenyl)carbamate,
(4-CHLORO-2-FORMYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER,
SCHEMBL16802013,
8756AH,
ZINC34615474,
AB63599,
NE64185,
AJ-89766,
SC-32779,
(4-Chloro-2-formyl-phenyl)-carbamic acid tert-buty,
2-AMINO-N-TERT-BUTOXYCARBONYL-5-CHLOROBENZALDEHYDE,
Carbamic acid, (4-chloro-2-formylphenyl)-, 1,1-dimethylethyl ester (9CI),
C12H14ClNO3,
-CARBAMICACIDTERT-BUTYLESTER,
CID11043330,
Tert-butyl N-(4-chloro-2-formyl-phenyl)carbamate,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.698g/mol |
| Monoisotopic Mass | 255.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number