3-Bromo-5-nitrobenzoic Acid - CAS 6307-83-1
Catalog: |
BB031988 |
Product Name: |
3-Bromo-5-nitrobenzoic Acid |
CAS: |
6307-83-1 |
Synonyms: |
3-bromo-5-nitrobenzoic acid; 3-bromo-5-nitrobenzoic acid |
IUPAC Name: | 3-bromo-5-nitrobenzoic acid |
Description: | 3-Bromo-5-nitrobenzoic Acid (CAS# 6307-83-1) is a useful research chemical. |
Molecular Weight: | 246.02 |
Molecular Formula: | C7H4BrNO4 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O |
InChI: | InChI=1S/C7H4BrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11) |
InChI Key: | AXRKIZCFYZBBPX-UHFFFAOYSA-N |
Boiling Point: | 376.8 °C at 760 mmHg |
Density: | 1.892 g/cm3 |
MDL: | MFCD00100098 |
LogP: | 2.57870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112898194-A | Polyimide-polyarylene polymers | 20191119 |
EP-3825342-A1 | Polyimide-polyarylene polymers | 20191119 |
JP-2021080450-A | Polyimide-polyarylene polymer | 20191119 |
KR-20210061271-A | Polyimide-polyarylene polymers | 20191119 |
US-2021147616-A1 | Polyimide-polyarylene polymers | 20191119 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.93237 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.93237 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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