(5-Bromo-4-chloro-2-nitrophenyl)acetic acid - CAS 1400644-94-1
Catalog: |
BB061931 |
Product Name: |
(5-Bromo-4-chloro-2-nitrophenyl)acetic acid |
CAS: |
1400644-94-1 |
Synonyms: |
(5-Bromo-4-chloro-2-nitrophenyl)acetic acid; 2-(5-bromo-4-chloro-2-nitrophenyl)acetic acid; (5-Bromo-4-chloro-2-nitrophenyl)aceticacid; Benzeneacetic acid, 5-bromo-4-chloro-2-nitro- |
IUPAC Name: | 2-(5-bromo-4-chloro-2-nitrophenyl)acetic acid |
Description: | (5-Bromo-4-chloro-2-nitrophenyl)acetic acid |
Molecular Weight: | 294.48 |
Molecular Formula: | C8H5BrClNO4 |
Canonical SMILES: | C1=C(C(=CC(=C1Br)Cl)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C8H5BrClNO4/c9-5-1-4(2-8(12)13)7(11(14)15)3-6(5)10/h1,3H,2H2,(H,12,13) |
InChI Key: | CMPSGELYHKSLIB-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.90905 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.90905 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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