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4-(chloromethyl)phenyl 2-methylpropanoate

4-(chloromethyl)phenyl 2-methylpropanoate

CAS: 1260854-47-4

Formula: C11H13ClO2

SMILES: CC(C)C(=O)OC1=CC=C(CCl)C=C1

IUPAC: 4-(chloromethyl)phenyl 2-methylpropanoate

InChI: InChI=1S/C11H13ClO2/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3

Composition: C (62.12%), H (6.16%), Cl (16.67%), O (15.05%)

Molar Mass: 212.67

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.0604074
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WWDNAJZWTNIHGH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.26
Topological Polar Surface Area 26.3
Polarizability 22.1
Ring Count 1
Rotatable Bond Count 4

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95% <5 Days 1260854-47-4 $2,200.00-$3,850.00$2,200.00$2,970.00$3,850.00
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