(3-Chloro-4-fluorophenyl) urea

CAT: 0926-TNA24757-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-TNA24757-01Size:0.5 g

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CAS Number

343247-57-4

MDL Number

MFCD11183381

Smiles

C1=CC (=C (C=C1NC (=O) N) Cl) F

Molecular Formula

C7H6ClFN2O

Molecular Weight

188.59 g/mol

Controlled

Chemical Information

(3-Chloro-4-fluorophenyl)urea

CAS Number	343247-57-4
PubChem CID	20499450
IUPAC Name	(3-chloro-4-fluorophenyl)urea
Molecular Formula	C7H6ClFN2O
Molecular Weight	188.59
XLogP	2.1
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	179

SMILES

C1=CC(=C(C=C1NC(=O)N)Cl)F

InChI

InChI=1S/C7H6ClFN2O/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)

InChIKey

PAIOBGQOUSRSNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 343247-57-4

CID: 20499450

Formula: C7H6ClFN2O

MW: 188.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.59
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	188.0152687
Monoisotopic Mass	188.0152687
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179
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
ZZB87103-01	(4-Chloro-3-fluorophenyl) urea
XKB32630	N- (4-Chloro-3-nitrophenyl) -N′- (4-fluorophenyl) urea
FF61345	(4-Fluorophenyl) urea
FB61335-01	1,3-Bis (4-fluorophenyl) urea
ZHA58500-01	1- (4-Fluorophenyl) -3- (3-hydroxyphenyl) urea
PRB85238-01	[ (3-Fluorophenyl) methyl]urea
ILA16730-01	3- (4-Fluorophenyl) -1- (piperidin-4-yl) urea
ZNA42281	1- (3-fluorophenyl) -3- ((4-methylphenyl) sulfonyl) urea
EWB96868-01	1- (4-Fluorophenyl) -3- (pyrrolidin-3-yl) urea
ZZB97853-01	(4-Chloro-3-fluorophenyl) methanesulfonamide

Catalog	Name
sc-346650	(3-chloro-4-fluorophenyl) urea
PC31606	1- (3-Chloro-4-fluorophenyl) -3- (ethylthiophosphinato) urea
PC31607	1- (Diisopropylphosphonato) -N2- (3-chloro-4-fluorophenyl) urea
278226-01	(4-Fluorophenyl) urea
267259-01	1,3-Bis (4-fluorophenyl) urea
PC1001480-01	1- (4-Fluorophenyl) -3- (3-hydroxyphenyl) urea
408514-01	1-[ (4-Fluorophenyl) methyl]-3-[ (4-isobutoxyphenyl) methyl]urea
TRC-F632240-100MG	1-[(4-Fluorophenyl)methyl]-3-[(4-isobutoxyphenyl)methyl]urea
PC300821-01	N- (4-Chlorophenyl) -N'- (4-fluorophenyl) urea
PC48674-01	1- (3-Bromo-4-fluorophenyl) -3- (2-chloroethyl) urea