Methyl 3-Chloro-4-(1-pyrrolidinyl)benzoate - CAS 1375064-50-8
Catalog: |
BB008591 |
Product Name: |
Methyl 3-Chloro-4-(1-pyrrolidinyl)benzoate |
CAS: |
1375064-50-8 |
Synonyms: |
3-chloro-4-(1-pyrrolidinyl)benzoic acid methyl ester; methyl 3-chloro-4-pyrrolidin-1-ylbenzoate |
IUPAC Name: | methyl 3-chloro-4-pyrrolidin-1-ylbenzoate |
Description: | Methyl 3-Chloro-4-(1-pyrrolidinyl)benzoate (CAS# 1375064-50-8) is a useful research chemical. |
Molecular Weight: | 239.70 |
Molecular Formula: | C12H14ClNO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)N2CCCC2)Cl |
InChI: | InChI=1S/C12H14ClNO2/c1-16-12(15)9-4-5-11(10(13)8-9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3 |
InChI Key: | UZQJIFFWGPGZNG-UHFFFAOYSA-N |
LogP: | 2.79180 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0713064 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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