4-(Bromomethyl)-2-chlorophenylboronic Acid Pinacol Ester - CAS 1256360-55-0
Catalog: |
BB006169 |
Product Name: |
4-(Bromomethyl)-2-chlorophenylboronic Acid Pinacol Ester |
CAS: |
1256360-55-0 |
Synonyms: |
2-[4-(bromomethyl)-2-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(bromomethyl)-2-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[4-(bromomethyl)-2-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-(Bromomethyl)-2-chlorophenylboronic Acid Pinacol Ester (CAS# 1256360-55-0) is a useful research chemical. |
Molecular Weight: | 331.44 |
Molecular Formula: | C13H17BrClO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)Cl |
InChI: | InChI=1S/C13H17BBrClO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)7-11(10)16/h5-7H,8H2,1-4H3 |
InChI Key: | RFXSZNZSFDRTPC-UHFFFAOYSA-N |
LogP: | 3.53410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021053967-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2021030438-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.01935 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.01935 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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