4-(4-Chloro-2-methoxyphenyl)aniline - CAS 1334499-96-5
Catalog: |
BB070327 |
Product Name: |
4-(4-Chloro-2-methoxyphenyl)aniline |
CAS: |
1334499-96-5 |
Synonyms: |
4'-Chloro-2'-methoxy-[1,1'-biphenyl]-4-amine; 4-(4-Chloro-2-methoxyphenyl)aniline |
IUPAC Name: | 4-(4-chloro-2-methoxyphenyl)aniline |
Description: | 4-(4-Chloro-2-methoxyphenyl)aniline |
Molecular Weight: | 233.69 |
Molecular Formula: | C13H12ClNO |
Canonical SMILES: | COC1=C(C=CC(=C1)Cl)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C13H12ClNO/c1-16-13-8-10(14)4-7-12(13)9-2-5-11(15)6-3-9/h2-8H,15H2,1H3 |
InChI Key: | LXVLGXFUOKOIHA-UHFFFAOYSA-N |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.0607417 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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