1-(chloromethyl)-2,3,4-trimethoxybenzene

1-(chloromethyl)-2,3,4-trimethoxybenzene

CAS: 1133-49-9

Formula: C10H13ClO3

SMILES: COC1=CC=C(CCl)C(OC)=C1OC

IUPAC: 1-(chloromethyl)-2,3,4-trimethoxybenzene

InChI: InChI=1S/C10H13ClO3/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5H,6H2,1-3H3

Composition: C (55.44%), H (6.05%), Cl (16.36%), O (22.15%)

Molar Mass: 216.66

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.055322
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HEAQHTKDZPKODU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.31
Topological Polar Surface Area	27.69
Polarizability	21.58
Ring Count	1
Rotatable Bond Count	4

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