4-Chloro-2-fluoroanisole

CAT: 0024-sc-232538Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232538Size:5 g

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CAS Number

452-09-5

Chemical Information

4-Chloro-2-fluoroanisole

CAS Number	452-09-5
PubChem CID	223101
IUPAC Name	4-chloro-2-fluoro-1-methoxybenzene
Molecular Formula	C7H6ClFO
Molecular Weight	160.57
XLogP	2.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

COC1=C(C=C(C=C1)Cl)F

InChI

InChI=1S/C7H6ClFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

InChIKey

QIUCVZDNIUACJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 452-09-5

CID: 223101

Formula: C7H6ClFO

MW: 160.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.57
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	160.0091207
Monoisotopic Mass	160.0091207
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes