4-Bromo-3-nitrobenzaldehyde - CAS 163596-75-6
Catalog: |
BB012020 |
Product Name: |
4-Bromo-3-nitrobenzaldehyde |
CAS: |
163596-75-6 |
Synonyms: |
4-bromo-3-nitrobenzaldehyde |
IUPAC Name: | 4-bromo-3-nitrobenzaldehyde |
Description: | 4-Bromo-3-nitrobenzaldehyde (CAS# 163596-75-6) is a useful research chemical. |
Molecular Weight: | 230.02 |
Molecular Formula: | C7H4BrNO3 |
Canonical SMILES: | C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H |
InChI Key: | SAFSVELFSYQXOV-UHFFFAOYSA-N |
Boiling Point: | 289.3 ℃ at 760 mmHg |
Density: | 1.781 g/cm3 |
MDL: | MFCD00204031 |
LogP: | 2.69300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113072552-A | Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease | 20210304 |
US-2020239476-A1 | Gpr35 modulators | 20190124 |
WO-2020154492-A1 | Gpr35 modulators | 20190124 |
TW-202043234-A | Gpr35 modulators | 20190124 |
KR-20210119485-A | GPR35 modulators | 20190124 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.93746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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