DG70

CAT: 0607-BA1350-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1350-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

930470-97-6

Form

A solid

Molecular Formula

C21H17ClFNO3

Molecular Weight

385.82

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-chloro-4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzamide

CAS Number	930470-97-6
PubChem CID	17555992
IUPAC Name	2-chloro-4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzamide
Molecular Formula	C21H17ClFNO3
Molecular Weight	385.8
XLogP	5.1
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	486

SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H17ClFNO3/c1-26-16-7-3-13(4-8-16)18-12-15(6-10-20(18)27-2)24-21(25)17-9-5-14(23)11-19(17)22/h3-12H,1-2H3,(H,24,25)

InChIKey

RWSCJEILSRMTEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 930470-97-6

CID: 17555992

Formula: C21H17ClFNO3

MW: 385.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.8
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	385.0880993
Monoisotopic Mass	385.0880993
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	486
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

Catalog	Name
HY-111086-01	DG70