Methyl 3-bromocinnamate, predominantly trans - CAS 79432-87-4
Catalog: |
BB036345 |
Product Name: |
Methyl 3-bromocinnamate, predominantly trans |
CAS: |
79432-87-4 |
Synonyms: |
methyl (E)-3-(3-bromophenyl)prop-2-enoate |
IUPAC Name: | methyl (E)-3-(3-bromophenyl)prop-2-enoate |
Description: | Methyl 3-bromocinnamate, predominantly trans (CAS# 79432-87-4) is a useful research chemical. |
Molecular Weight: | 241.08 |
Molecular Formula: | C10H9BrO2 |
Canonical SMILES: | COC(=O)C=CC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C10H9BrO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,1H3/b6-5+ |
InChI Key: | GPBINNSHRSTZQE-AATRIKPKSA-N |
Purity: | 95 % |
LogP: | 2.63530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210025636-A | Novel LXR modulator with bicyclic core moiety | 20180628 |
US-2021147398-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
AU-2018351400-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20171018 |
CA-3079557-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20171018 |
WO-2019076310-A1 | DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE | 20171018 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 239.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.97859 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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