IDD388

CAT: 0607-BA7166-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7166-10Size:10 mg

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

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CAS Number

314297-26-2

Form

A solid

Molecular Formula

C16H12BrClFNO4

Molecular Weight

416.63

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

(2-(((4-Bromo-2-fluorobenzyl)amino)carbonyl)-5-chlorophenoxy)acetic acid

CAS Number	314297-26-2
PubChem CID	16058629
IUPAC Name	2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid
Molecular Formula	C16H12BrClFNO4
Molecular Weight	416.6
XLogP	3.7
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	456

SMILES

C1=CC(=C(C=C1Cl)OCC(=O)O)C(=O)NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)

InChIKey

ZLIGBZRXAQNUFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 314297-26-2

CID: 16058629

Formula: C16H12BrClFNO4

MW: 416.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	416.6
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	414.96223
Monoisotopic Mass	414.96223
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	456
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
T27583-01	IDD388