methyl 3-(carbonochloridoyl)benzoate

methyl 3-(carbonochloridoyl)benzoate

CAS: 3441-03-0

Formula: C9H7ClO3

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

IUPAC: methyl 3-(carbonochloridoyl)benzoate

InChI: InChI=1S/C9H7ClO3/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/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	UTGGIQHJOAPIPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.2
Topological Polar Surface Area	43.37
Polarizability	18.56
Ring Count	1
Rotatable Bond Count	3

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