Methyl 5-Bromo-1H-indazole-6-carboxylate - CAS 1000342-30-2
Catalog: |
BB000020 |
Product Name: |
Methyl 5-Bromo-1H-indazole-6-carboxylate |
CAS: |
1000342-30-2 |
Synonyms: |
5-bromo-1H-indazole-6-carboxylic acid methyl ester; methyl 5-bromo-1H-indazole-6-carboxylate |
IUPAC Name: | methyl 5-bromo-1H-indazole-6-carboxylate |
Description: | Methyl 5-Bromo-1H-indazole-6-carboxylate (CAS# 1000342-30-2) is a useful research chemical. |
Molecular Weight: | 255.07 |
Molecular Formula: | C9H7BrN2O2 |
Canonical SMILES: | COC(=O)C1=C(C=C2C=NNC2=C1)Br |
InChI: | InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12) |
InChI Key: | OMGXGABLIDYSNN-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD09749941 |
LogP: | 2.11200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021203025-A1 | 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
US-2020172512-A1 | Chemical Compounds | 20181129 |
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TW-202033513-A | Chemical compounds | 20181129 |
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Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.96909 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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