5-Bromochroman-8-carboxylic Acid - CAS 110751-07-0
Catalog: |
BB002666 |
Product Name: |
5-Bromochroman-8-carboxylic Acid |
CAS: |
110751-07-0 |
Synonyms: |
5-bromo-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid; 5-bromo-3,4-dihydro-2H-chromene-8-carboxylic acid |
IUPAC Name: | 5-bromo-3,4-dihydro-2H-chromene-8-carboxylic acid |
Description: | 5-Bromochroman-8-carboxylic Acid (CAS# 110751-07-0) is a useful chemical reagent. |
Molecular Weight: | 257.08 |
Molecular Formula: | C10H9BrO3 |
Canonical SMILES: | C1CC2=C(C=CC(=C2OC1)C(=O)O)Br |
InChI: | InChI=1S/C10H9BrO3/c11-8-4-3-7(10(12)13)9-6(8)2-1-5-14-9/h3-4H,1-2,5H2,(H,12,13) |
InChI Key: | ZZVRSHCOXWQTMD-UHFFFAOYSA-N |
LogP: | 0.00000 |
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 |
US-2020155563-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
WO-2020092383-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
CN-112996786-A | Compounds for inhibiting alpha 4 beta 7 integrins | 20181030 |
EP-3873897-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
KR-20210086672-A | Compounds for Inhibition of Alpha4beta7 Integrin | 20181030 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.97351 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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