4-Bromo-1-methyl-2-pyrrolecarboxylic Acid - CAS 875160-43-3
Catalog: |
BB038510 |
Product Name: |
4-Bromo-1-methyl-2-pyrrolecarboxylic Acid |
CAS: |
875160-43-3 |
Synonyms: |
4-bromo-1-methyl-2-pyrrolecarboxylic acid; 4-bromo-1-methylpyrrole-2-carboxylic acid |
IUPAC Name: | 4-bromo-1-methylpyrrole-2-carboxylic acid |
Description: | 4-Bromo-1-methyl-2-pyrrolecarboxylic Acid (CAS# 875160-43-3) is a useful research chemical. |
Molecular Weight: | 204.02 |
Molecular Formula: | C6H6BrNO2 |
Canonical SMILES: | CN1C=C(C=C1C(=O)O)Br |
InChI: | InChI=1S/C6H6BrNO2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,1H3,(H,9,10) |
InChI Key: | NSZDZQRYBIAVQM-UHFFFAOYSA-N |
MDL: | MFCD07838483 |
LogP: | 1.48580 |
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 |
WO-2019243159-A1 | Binder-drug conjugates directed against cxcr5, having enzymatically cleavable linkers and improved activity profile | 20180618 |
EP-3806908-A1 | Binder-drug conjugates directed against cxcr5, having enzymatically cleavable linkers and improved activity profile | 20180618 |
EP-3558387-A1 | Specific antibody drug conjugates (adcs) having ksp inhibitors | 20161221 |
EP-3558388-A1 | Antibody drug conjugates (adcs) having enzymatically cleavable groups | 20161221 |
WO-2018114578-A1 | Antibody drug conjugates (adcs) having enzymatically cleavable groups | 20161221 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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