3-Amino-4-bromobenzoic acid - CAS 2840-29-1
Catalog: |
BB019840 |
Product Name: |
3-Amino-4-bromobenzoic acid |
CAS: |
2840-29-1 |
Synonyms: |
3-amino-4-bromobenzoic acid |
IUPAC Name: | 3-amino-4-bromobenzoic acid |
Description: | 3-Amino-4-bromobenzoic acid (CAS# 2840-29-1) is a useful research chemical. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)N)Br |
InChI: | InChI=1S/C7H6BrNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11) |
InChI Key: | TZFJADFQEBASQU-UHFFFAOYSA-N |
Boiling Point: | 260-230 ℃ |
Purity: | 99 % |
Density: | 1.793 g/cm3 |
MDL: | MFCD00579106 |
LogP: | 2.31070 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021097256-A1 | Cxcr4 antagonist peptides | 20191114 |
WO-2021081110-A2 | Peptides and use thereof | 20191022 |
WO-2021030687-A1 | Therapeutic peptides | 20190815 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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