| CAS Number | 1199556-68-7 |
| Catalog Number | AG000PVX(AGN-PC-0WCKBT) |
| Chemical Name | Carbamic acid, N-[1-(4-bromophenyl)-3-oxocyclobutyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[1-(4-bromophenyl)-3-oxocyclobutyl]carbamate |
| InChI | InChI=1S/C15H18BrNO3/c1-14(2,3)20-13(19)17-15(8-12(18)9-15)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,19) |
| InChI Key | YFSAGUKUTJZFQM-UHFFFAOYSA-N |
| MDL Number | MFCD17926307 |
| Molecular Formula | C15H18BrNO3 |
| Molecular Weight | 340.2123 |
| SMILES | O=C(OC(C)(C)C)NC1(C2=CC=C(Br)C=C2)CC(C1)=O |
| Synonyms | 1199556-68-7,
tert-Butyl (1-(4-bromophenyl)-3-oxocyclobutyl)carbamate,
1-BOC-AMINO-1-(4-BROMOPHENYL)-3-OXOCYCLOBUTANE,
tert-butyl N-[1-(4-bromophenyl)-3-oxocyclobutyl]carbamate,
[1-(4-Bromo-phenyl)-3-oxo-cyclobutyl]-carbamic acid tert-butyl ester,
SCHEMBL2755197,
MFCD17926307,
ZINC66054673,
AK171194,
AS-35604,
AX8266476,
CS-0047974,
X-3323,
1-(Boc-amino)-1-(4-bromophenyl)cyclobutan-3-one,
Carbamic acid, N-[1-(4-bromophenyl)-3-oxocyclobutyl]-, 1,1-dimethylethyl ester,
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| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.217g/mol |
| Monoisotopic Mass | 339.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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