N-Boc-4-bromo-3-methylaniline - CAS 654056-82-3
Catalog: |
BB032722 |
Product Name: |
N-Boc-4-bromo-3-methylaniline |
CAS: |
654056-82-3 |
Synonyms: |
N-(4-bromo-3-methylphenyl)carbamic acid tert-butyl ester; tert-butyl N-(4-bromo-3-methylphenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-bromo-3-methylphenyl)carbamate |
Description: | N-Boc-4-bromo-3-methylaniline (CAS# 654056-82-3) is a useful research chemical. |
Molecular Weight: | 286.16 |
Molecular Formula: | C12H16BrNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)NC(=O)OC(C)(C)C)Br |
InChI: | InChI=1S/C12H16BrNO2/c1-8-7-9(5-6-10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15) |
InChI Key: | GIPPMBXUPCAXHC-UHFFFAOYSA-N |
LogP: | 4.17750 |
Publication Number | Title | Priority Date |
US-2016329497-A1 | Hole transport materials | 20150506 |
US-9954174-B2 | Hole transport materials | 20150506 |
US-2018244643-A1 | Highly sensitive detection of biomolecules using proximity induced bioorthogonal reactions | 20141230 |
WO-2016109733-A1 | Highly sensitive detection of biomolecules using proximity induced bioorthogonal reactions | 20141230 |
US-2016315259-A1 | System for forming an electroactive layer | 20131213 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.03644 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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