2-chloro-3-methoxybenzaldehyde

2-chloro-3-methoxybenzaldehyde

CAS: 54881-49-1

Formula: C8H7ClO2

SMILES: COC1=CC=CC(C=O)=C1Cl

IUPAC: 2-chloro-3-methoxybenzaldehyde

InChI: InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3

Composition: C (56.33%), H (4.14%), Cl (20.78%), O (18.76%)

Molar Mass: 170.59

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.0134572
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XKLMLKSXPIITAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.91
Topological Polar Surface Area	26.3
Polarizability	16.67
Ring Count	1
Rotatable Bond Count	2

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