| CAS Number | 1332765-65-7 |
| Catalog Number | AG01F88E(AGN-PC-3H499A) |
| Chemical Name | tert-Butyl (1-(3-chlorophenyl)cyclopropyl)carbamate |
| IUPAC Name | tert-butyl N-[1-(3-chlorophenyl)cyclopropyl]carbamate |
| InChI | InChI=1S/C14H18ClNO2/c1-13(2,3)18-12(17)16-14(7-8-14)10-5-4-6-11(15)9-10/h4-6,9H,7-8H2,1-3H3,(H,16,17) |
| InChI Key | KHPABPDTLDGOGQ-UHFFFAOYSA-N |
| MDL Number | MFCD19381706 |
| Molecular Formula | C14H18ClNO2 |
| Molecular Weight | 267.7512 |
| SMILES | O=C(NC1(CC1)c1cccc(c1)Cl)OC(C)(C)C |
| Synonyms | 1332765-65-7,
tert-Butyl N-[1-(3-chlorophenyl)cyclopropyl]carbamate,
tert-Butyl (1-(3-chlorophenyl)cyclopropyl)carbamate,
ZX-AT013379,
ZINC67802718,
FCH1620084,
KS-6762,
OR61227,
1-(3-Chlorophenyl)cyclopropan-1-amine, N-BOC protected,
tert-Butyl [1-(3-chlorophenyl)cycloprop-1-yl]carbamate,
1-[(tert-Butoxycarbonyl)amino]-1-(3-chlorophenyl)cyclopropane,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.753g/mol |
| Monoisotopic Mass | 267.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number