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2-chloro-4-(pyrrolidin-1-yl)benzoic acid

2-chloro-4-(pyrrolidin-1-yl)benzoic acid

CAS: 192513-60-3

Formula: C11H12ClNO2

SMILES: OC(=O)C1=CC=C(C=C1Cl)N1CCCC1

IUPAC: 2-chloro-4-(pyrrolidin-1-yl)benzoic acid

InChI: InChI=1S/C11H12ClNO2/c12-10-7-8(13-5-1-2-6-13)3-4-9(10)11(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)

Composition: C (58.55%), H (5.36%), Cl (15.71%), N (6.21%), O (14.18%)

Molar Mass: 225.67

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.0556563
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QMZLYZCZDQIOIL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.09
Topological Polar Surface Area 40.54
Polarizability 22.35
Ring Count 2
Rotatable Bond Count 2

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97% <7 Days 192513-60-3 $50.72-$550.62$50.72$74.52$203.90$550.62
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