4-Chloro-2-nitrobenzaldehyde - CAS 5551-11-1
Catalog: |
BB029068 |
Product Name: |
4-Chloro-2-nitrobenzaldehyde |
CAS: |
5551-11-1 |
Synonyms: |
4-chloro-2-nitrobenzaldehyde |
IUPAC Name: | 4-chloro-2-nitrobenzaldehyde |
Description: | 4-Chloro-2-nitrobenzaldehyde (CAS# 5551-11-1) is a compound useful in organic synthesis. |
Molecular Weight: | 185.56 |
Molecular Formula: | C7H4ClNO3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H |
InChI Key: | MZPNQUMLOFWSEK-UHFFFAOYSA-N |
Boiling Point: | 305.2 °C at 760 mmHg |
Density: | 1.485 g/cm3 |
MDL: | MFCD00056104 |
LogP: | 2.58390 |
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 |
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Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9879707 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9879707 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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