| CAS Number | 142356-34-1 |
| Catalog Number | AG009Y99(AGN-PC-0MYWHD) |
| Chemical Name | (7-Bromoheptyl)carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-(7-bromoheptyl)carbamate |
| InChI | InChI=1S/C12H24BrNO2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h4-10H2,1-3H3,(H,14,15) |
| InChI Key | VKBIPAHIGAUNSX-UHFFFAOYSA-N |
| MDL Number | MFCD22576425 |
| Molecular Formula | C12H24BrNO2 |
| Molecular Weight | 294.2285 |
| SMILES | BrCCCCCCCNC(OC(C)(C)C)=O |
| Synonyms | tert-Butyl (7-bromoheptyl)carbamate,
142356-34-1,
(7-Bromoheptyl)carbamic acid tert-butyl ester,
Tert-butyl N-(7-bromoheptyl)carbamate,
N-Boc-7-bromoheptan-1-amine,
t-Butyl (7-bromoheptyl)carbamate,
VKBIPAHIGAUNSX-UHFFFAOYSA-N,
tert-Butyl(7-bromoheptyl)carbamate,
tert-butyl-(7-bromoheptyl)carbamate,
MFCD22576425,
ZINC34221180,
AKOS027339763,
AS-47097,
A1-02856,
Carbamic acid, N-(7-bromoheptyl)-, 1,1-dimethylethyl ester,
CID10108474,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.233g/mol |
| Monoisotopic Mass | 293.099g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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