5-Bromo-2-chloroquinazoline - CAS 134517-33-2
Catalog: |
BB007945 |
Product Name: |
5-Bromo-2-chloroquinazoline |
CAS: |
134517-33-2 |
Synonyms: |
5-bromo-2-chloroquinazoline; 5-bromo-2-chloroquinazoline |
IUPAC Name: | 5-bromo-2-chloroquinazoline |
Description: | 5-Bromo-2-chloroquinazoline (CAS# 134517-33-2) is a useful research chemical. |
Molecular Weight: | 243.49 |
Molecular Formula: | C8H4BrClN2 |
Canonical SMILES: | C1=CC2=NC(=NC=C2C(=C1)Br)Cl |
InChI: | InChI=1S/C8H4BrClN2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H |
InChI Key: | XJDPGQHSQGMWEV-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 3.04570 |
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 |
WO-2015123355-A1 | Substituted prolines / piperidines as orexin receptor antagonists | 20140212 |
US-2014364432-A1 | Substituted prolines / piperidines as orexin receptor antagonists | 20120207 |
US-2014364433-A1 | Substituted prolines / piperidines as orexin receptor antagonists | 20120207 |
US-2017101410-A1 | Substituted prolines / piperidines as orexin receptor antagonists | 20120207 |
US-9440982-B2 | Substituted prolines/piperidines as orexin receptor antagonists | 20120207 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.92464 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.92464 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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