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methyl 2-chloro-6-formylbenzoate

methyl 2-chloro-6-formylbenzoate

CAS: 1086391-95-8

Formula: C9H7ClO3

SMILES: COC(=O)C1=C(Cl)C=CC=C1C=O

IUPAC: methyl 2-chloro-6-formylbenzoate

InChI: InChI=1S/C9H7ClO3/c1-13-9(12)8-6(5-11)3-2-4-7(8)10/h2-5H,1H3

Composition: C (54.43%), H (3.55%), Cl (17.85%), O (24.17%)

Molar Mass: 198.6

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.0083718
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FBGBUSMVAQUKOY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.47
Topological Polar Surface Area 43.37
Polarizability 18.6
Ring Count 1
Rotatable Bond Count 3

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96% <2 Days 1086391-95-8 $150.65-$2,297.70$150.65$187.45$258.75$401.35$687.70$2,297.70
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