| CAS Number | 1155949-16-8 |
| Catalog Number | AG00929Q |
| Chemical Name | tert-butyl N-(2-amino-4-bromo-6-methylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(2-amino-4-bromo-6-methylphenyl)carbamate |
| InChI | InChI=1S/C12H17BrN2O2/c1-7-5-8(13)6-9(14)10(7)15-11(16)17-12(2,3)4/h5-6H,14H2,1-4H3,(H,15,16) |
| InChI Key | RQUWGLIIOSNENW-UHFFFAOYSA-N |
| MDL Number | MFCD12432556 |
| Molecular Formula | C12H17BrN2O2 |
| Molecular Weight | 301.1796 |
| SMILES | CC1=C(NC(OC(C)(C)C)=O)C(N)=CC(Br)=C1 |
| Synonyms | 1155949-16-8,
(2-Amino-4-bromo-6-methyl-phenyl)-carbamic acid tert-butyl ester,
tert-butyl N-(2-amino-4-bromo-6-methylphenyl)carbamate,
ZINC36738961,
AKOS009570326,
MCULE-1342877372,
NE31753,
tert-butyl (2-amino-4-bromo-6-methylphenyl)carbamate,
Z1655141173,
carbamic acid,n-(2-amino-4-bromo-6-methylphenyl)-,1,1-dimethylethyl ester,
(2-Amino-4-bromo-6-methyl-phenyl)-carbamic acid tert-butyl ester, AldrichCPR,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.184g/mol |
| Monoisotopic Mass | 300.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number