[ (3-Chlorophenyl) methyl]urea

CAT: 0127-OR33374Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR33374Size:1 g

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CAS Number

76502-61-9

MDL Number

MFCD00052920

Purity

95%

Smiles

NC(=O)NCc1cccc(Cl)c1

Chemical Information

3-Chlorobenzylurea

CAS Number	76502-61-9
PubChem CID	2732577
IUPAC Name	(3-chlorophenyl)methylurea
Molecular Formula	C8H9ClN2O
Molecular Weight	184.62
XLogP	1.4
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)N

InChI

InChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)

InChIKey

KOLUBYHCZCBBFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76502-61-9

CID: 2732577

Formula: C8H9ClN2O

MW: 184.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.62
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	184.0403406
Monoisotopic Mass	184.0403406
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
OR33122-01	[ (2-Chlorophenyl) methyl]urea
OR33123-01	[ (4-Chlorophenyl) methyl]urea
OR24249	1- (3-Chlorophenyl) -3-diethylphospinato urea
OR11102-01	1,3-Bis (4-chlorophenyl) urea
OR1028230-01	1- (2-Chlorophenyl) Urea
PC300851	N- (3-Chlorophenyl) -N'-[2-methyl-6- (trifluoromethyl) pyridin-3-yl]urea
OR311095	N- (4-Chlorophenyl) -N'- (3-pyridinylmethyl) urea
OR1047235-01	3- (4-Aminophenyl) -1- (4-chlorophenyl) urea
PC28174-01	{[3- (Trifluoromethyl) phenyl]methyl}urea
PC300726	N- (4-Chlorophenyl) -N'-[2-methyl-6- (trifluoromethyl) pyridin-3-yl]urea

Catalog	Name
EAA65463-01	[ (2-Chlorophenyl) methyl]urea
IDA37500-01	3-Amino-1-[ (4-chlorophenyl) methyl]urea
BVA64673	1- ((2-chlorophenyl) methyl) -3- (cyclohexyl) urea
ABC69437-01	3-[ (3-Aminophenyl) methyl]-1- (2-chlorophenyl) urea
GDA80729-01	(3-Amino-4-chlorophenyl) urea
267258-01	1,3-Bis (4-chlorophenyl) urea
SDA76407-01	[ (3-Methoxyphenyl) methyl]urea
FC168887	1- (4-Chlorophenyl) -3- (3-pyridylmethyl) urea
sc-276333	(3-Methyl-butyl) -urea
PRB85238-01	[ (3-Fluorophenyl) methyl]urea