3-Bromo-1,2-diamino-5-fluorobenzene - CAS 115440-10-3
Catalog: |
BB003564 |
Product Name: |
3-Bromo-1,2-diamino-5-fluorobenzene |
CAS: |
115440-10-3 |
Synonyms: |
3-bromo-5-fluorobenzene-1,2-diamine |
IUPAC Name: | 3-bromo-5-fluorobenzene-1,2-diamine |
Description: | 3-Bromo-1,2-diamino-5-fluorobenzene (CAS# 115440-10-3) is a useful research chemical. |
Molecular Weight: | 205.03 |
Molecular Formula: | C6H6BrFN2 |
Canonical SMILES: | C1=C(C=C(C(=C1Br)N)N)F |
InChI: | InChI=1S/C6H6BrFN2/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,9-10H2 |
InChI Key: | VCINLTLIJKUOQC-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD08741398 |
LogP: | 2.91500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021026375-A1 | Fused bicyclic compounds for the treatment of pain | 20190807 |
US-2021040087-A1 | Somatostatin modulators and uses thereof | 20180212 |
WO-2019143675-A1 | Dna-pk inhibitors | 20180117 |
BR-112020014140-A2 | dna-pk inhibitors | 20180117 |
CN-111741955-A | DNA-PK inhibitors | 20180117 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.96984 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.96984 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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