5-Bromo-1H-pyrrole-3-carbaldehyde - CAS 881676-32-0
Catalog: |
BB038769 |
Product Name: |
5-Bromo-1H-pyrrole-3-carbaldehyde |
CAS: |
881676-32-0 |
Synonyms: |
5-bromo-1H-pyrrole-3-carboxaldehyde; 5-bromo-1H-pyrrole-3-carbaldehyde |
IUPAC Name: | 5-bromo-1H-pyrrole-3-carbaldehyde |
Description: | 5-Bromo-1H-pyrrole-3-carbaldehyde (CAS# 881676-32-0 ) is a useful research chemical. |
Molecular Weight: | 174.00 |
Molecular Formula: | C5H4BrNO |
Canonical SMILES: | C1=C(NC=C1C=O)Br |
InChI: | InChI=1S/C5H4BrNO/c6-5-1-4(3-8)2-7-5/h1-3,7H |
InChI Key: | XTLHTMDWLYWDEO-UHFFFAOYSA-N |
LogP: | 1.58970 |
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 |
CN-113149996-A | Polycyclic amide derivative serving as CDK9 inhibitor, and preparation method and application thereof | 20200512 |
CN-109006824-B | Application of 2-aryl substituted pyrrole compound in medicament for killing amphioxus | 20180911 |
CN-109006823-B | Application of 2-aryl substituted pyrrole compound in oncomelania killing drug | 20180911 |
CN-109169668-B | Application of 2-aryl substituted pyrrole compound in drug for killing vesicular snails | 20180911 |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
Complexity: | 96.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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