methyl (2E)-3-[3-(chlorosulfonyl)phenyl]prop-2-enoate

methyl (2E)-3-[3-(chlorosulfonyl)phenyl]prop-2-enoate

CAS: 610801-83-7

Formula: C10H9ClO4S

SMILES: COC(=O)C=CC1=CC=CC(=C1)S(Cl)(=O)=O

IUPAC: methyl (2E)-3-[3-(chlorosulfonyl)phenyl]prop-2-enoate

InChI: InChI=1S/C10H9ClO4S/c1-15-10(12)6-5-8-3-2-4-9(7-8)16(11,13)14/h2-7H,1H3/b6-5+

Composition: C (46.07%), H (3.48%), Cl (13.60%), O (24.55%), S (12.30%)

Molar Mass: 260.69

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.9910076
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IRLXDBWFFKLKOD-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.02
Topological Polar Surface Area	60.44
Polarizability	24.33
Ring Count	1
Rotatable Bond Count	4

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