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methyl 2-chloro-3-methoxybenzoate

methyl 2-chloro-3-methoxybenzoate

CAS: 59425-26-2

Formula: C9H9ClO3

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

IUPAC: methyl 2-chloro-3-methoxybenzoate

InChI: InChI=1S/C9H9ClO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3

Composition: C (53.88%), H (4.52%), Cl (17.67%), O (23.92%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0240218
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ALVQTYWDDKJEBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.35
Topological Polar Surface Area 35.53
Polarizability 19.23
Ring Count 1
Rotatable Bond Count 3

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