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methyl 3-chloro-4-(pyrrolidin-1-yl)benzoate

methyl 3-chloro-4-(pyrrolidin-1-yl)benzoate

CAS: 1375064-50-8

Formula: C12H14ClNO2

SMILES: COC(=O)C1=CC=C(N2CCCC2)C(Cl)=C1

IUPAC: methyl 3-chloro-4-(pyrrolidin-1-yl)benzoate

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

Composition: C (60.13%), H (5.89%), Cl (14.79%), N (5.84%), O (13.35%)

Molar Mass: 239.7

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 239.0713064
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UZQJIFFWGPGZNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.86
Topological Polar Surface Area 29.54
Polarizability 24.42
Ring Count 2
Rotatable Bond Count 3

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