HCV-IN-3 1mg

CAT: 0628-A20957-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A20957-1Size:1 mg

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CAS Number

1401839-25-5

Chemical Information

(2,4-Difluoro-3-phenoxyphenyl)methanamine

CAS Number	1401839-25-5
PubChem CID	60160555
IUPAC Name	(2,4-difluoro-3-phenoxyphenyl)methanamine
Molecular Formula	C13H11F2NO
Molecular Weight	235.23
XLogP	2.5
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	233

SMILES

C1=CC=C(C=C1)OC2=C(C=CC(=C2F)CN)F

InChI

InChI=1S/C13H11F2NO/c14-11-7-6-9(8-16)12(15)13(11)17-10-4-2-1-3-5-10/h1-7H,8,16H2

InChIKey

OPHNCLQYKIKHON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1401839-25-5

CID: 60160555

Formula: C13H11F2NO

MW: 235.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.23
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	235.08087030
Monoisotopic Mass	235.08087030
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	233
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