Methyl 1-bromocyclohexanecarboxylate - CAS 3196-23-4
Catalog: |
BB021114 |
Product Name: |
Methyl 1-bromocyclohexanecarboxylate |
CAS: |
3196-23-4 |
Synonyms: |
methyl 1-bromocyclohexane-1-carboxylate |
IUPAC Name: | methyl 1-bromocyclohexane-1-carboxylate |
Description: | Methyl 1-bromocyclohexanecarboxylate (CAS# 3196-23-4) is a useful research chemical. |
Molecular Weight: | 221.09 |
Molecular Formula: | C8H13BrO2 |
Canonical SMILES: | COC(=O)C1(CCCCC1)Br |
InChI: | InChI=1S/C8H13BrO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6H2,1H3 |
InChI Key: | RNWRVPVPLQMTAP-UHFFFAOYSA-N |
Boiling Point: | 115-116 ℃19 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.39 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00134214 |
LogP: | 2.25720 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112824380-A | Alpha-fluoro chalcone derivative and application thereof | 20191121 |
WO-2021098885-A1 | α-FLUOROCHALCONE DERIVATIVES AND APPLICATION THEREOF | 20191121 |
EP-3444254-A1 | Heterocyclic-substituted pyridinopyrimidinone derivative as cdk inhibitor and use thereof | 20160411 |
EP-3444254-B1 | Heterocyclic-substituted pyridinopyrimidinone derivative as cdk inhibitor and use thereof | 20160411 |
JP-2019510822-A | Heterocyclic substituted pyridinopyrimidinone derivatives as CDK inhibitors and uses thereof | 20160411 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.00989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS