| CAS Number | 834884-86-5 |
| Catalog Number | AG00G36F(AGN-PC-0WCZHA) |
| Chemical Name | tert-butyl N-[4-(6-formylpyridin-2-yl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-[4-(6-formylpyridin-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C17H18N2O3/c1-17(2,3)22-16(21)19-13-9-7-12(8-10-13)15-6-4-5-14(11-20)18-15/h4-11H,1-3H3,(H,19,21) |
| InChI Key | UKAPEGUQXJZYQQ-UHFFFAOYSA-N |
| MDL Number | MFCD07776852 |
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.3364 |
| SMILES | CC(OC(NC1=CC=C(C2=NC(C=O)=CC=C2)C=C1)=O)(C)C |
| Synonyms | 834884-86-5,
tert-Butyl (4-(6-formylpyridin-2-yl)phenyl)carbamate,
[4-(6-FORMYLPYRIDIN-2-YL)PHENYL]CARBAMIC ACID TERT-BUTYL ESTER,
tert-Butyl [4-(6-formylpyridin-2-yl)phenyl]carbamate,
DTXSID70592144,
ZXBA000415,
MFCD07776852,
ZINC25758485,
AKOS015960181,
MCULE-1616992383,
AJ-82103,
AX8106514,
TERT-BUTYL 4-(6-FORMYL-2-PYRIDINYL)PHENYLCARBAMATE,
[4- PHENYL]CARBAMICACIDTERT-BUTYLESTER,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.342g/mol |
| Monoisotopic Mass | 298.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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