| CAS Number | 877064-95-4 |
| Catalog Number | AG00H3XD(AGN-PC-0VG0OS) |
| Chemical Name | (3-Bromo-4-methyl-phenyl)-methyl-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-(3-bromo-4-methylphenyl)-N-methylcarbamate |
| InChI | InChI=1S/C13H18BrNO2/c1-9-6-7-10(8-11(9)14)15(5)12(16)17-13(2,3)4/h6-8H,1-5H3 |
| InChI Key | RQGCJQIAGDDTKJ-UHFFFAOYSA-N |
| MDL Number | MFCD12913705 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | CN(C1=CC(Br)=C(C)C=C1)C(OC(C)(C)C)=O |
| Synonyms | 877064-95-4,
tert-Butyl (3-bromo-4-methylphenyl)(methyl)carbamate,
(3-Bromo-4-methyl-phenyl)-methyl-carbamic acid tert-butyl ester,
DTXSID30856774,
4523AJ,
MFCD12913705,
ZINC95628804,
FCH1624417,
QC-8491,
AS-46745,
AJ-133079,
AX8259435,
FT-0725324,
Z-8611,
tert-Butyl (3-bromo-4-methylphenyl)methylcarbamate,
tert-butyl 3-bromo-4-methylphenyl(methyl)carbamate,
tert-butyl N-(3-bromo-4-methylphenyl)-N-methylcarbamate,
C13H18BrNO2,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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