1- (4-Chlorophenyl) -3-methylurea

CAT: 0127-OR957082Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR957082Size:1 g

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CAS Number

5352-88-5

MDL Number

MFCD00018546

Purity

95%

Smiles

CNC(=O)Nc1ccc(Cl)cc1

Chemical Information

Monomethylmonuron

3-(4-chlorophenyl)-1-methylurea is an a 1-methyl-3-phenylurea.

CAS Number	5352-88-5
PubChem CID	79309
IUPAC Name	1-(4-chlorophenyl)-3-methylurea
Molecular Formula	C8H9ClN2O
Molecular Weight	184.62
XLogP	1.7
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

CNC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)

InChIKey

XOXCBXRQHPLFNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5352-88-5

CID: 79309

Formula: C8H9ClN2O

MW: 184.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.62
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	184.0403406
Monoisotopic Mass	184.0403406
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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
OR32445-01	1- (4-Chlorophenyl) -3-hydroxy-3-methylurea
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OR1056925-01	1- (3-Chloro-4-methylphenyl) -3-methylurea
OR79837-01	1-Methylurea
OR32446-01	1- (2,4-Dichlorophenyl) -3-hydroxy-3-methylurea
OR32850-01	1- (4,6-Dimethylpyridin-2-yl) -3-methylurea
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OR1073691-01	1- (4-Chlorophenyl) -3-cyanoguanidine

Catalog	Name
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