N-Boc-4-(bromomethyl)aniline - CAS 239074-27-2
Catalog: |
BB018236 |
Product Name: |
N-Boc-4-(bromomethyl)aniline |
CAS: |
239074-27-2 |
Synonyms: |
N-[4-(bromomethyl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(bromomethyl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[4-(bromomethyl)phenyl]carbamate |
Description: | N-Boc-4-(bromomethyl)aniline (CAS# 239074-27-2) is a useful research chemical. |
Molecular Weight: | 286.16 |
Molecular Formula: | C12H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)CBr |
InChI: | InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3,(H,14,15) |
InChI Key: | UOFFCPRGVVQWTL-UHFFFAOYSA-N |
LogP: | 4.00150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2021150792-A1 | Novel compounds and composition for targeted therapy of kidney-associated cancers | 20200121 |
WO-2021104486-A1 | Compound containing benzene ring and application thereof | 20191129 |
WO-2021018173-A1 | Adenosine receptor antagonist | 20190730 |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
Complexity: | 230 |
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: | 4 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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