4- (morpholinocarbonyl) chlorobenzene

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CAS Number

19202-04-1

MDL Number

MFCD00458710

Smiles

C1 (ccc (cc1) C (=O) N1CCOCC1) Cl

Chemical Information

N-(4-Chlorobenzoyl)morpholine

CAS Number	19202-04-1
PubChem CID	225452
IUPAC Name	(4-chlorophenyl)-morpholin-4-ylmethanone
Molecular Formula	C11H12ClNO2
Molecular Weight	225.67
XLogP	1.6
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClNO2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2

InChIKey

BGRFQNTYHMHVFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19202-04-1

CID: 225452

Formula: C11H12ClNO2

MW: 225.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.67
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	225.0556563
Monoisotopic Mass	225.0556563
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
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
PC910104	4- (Difluoromethoxy) chlorobenzene
PC7439A-01	4- (Trifluoromethoxy) chlorobenzene
PC9351	4- (Trifluoromethylsulphinyl) chlorobenzene
OR76098-01	1- (4-Bromobutoxy) -4-chlorobenzene
OR01894	1-Allyl-4-chlorobenzene
OR0489	1-Benzyloxy-4-chlorobenzene
OR1065088-01	1- (Allyloxy) -4-chlorobenzene
OR28662	4-Chlorobenzene-1-carbothioamide
OR1072219-01	4,4'- (Chloromethylene) bis (chlorobenzene)
OR0026	Methyl 4-chlorobenzene sulphinate

Catalog	Name
YLB13847-01	4- (Morpholinocarbonyl) benzylamine
415646-01	2-Bromo-1- (morpholinocarbonyl) benzene
TRC-C364530-500G	Chlorobenzene
429627-01	4- (Morpholinocarbonyl) benzeneboronic Acid
424385-01	3-Bromo-5- (morpholinocarbonyl) pyridine
TMIJ-0348-01	Chlorobenzene-d5
89966938	Chlorobenzene SG
3123735	Monochlorobenzene (Chlorobenzene)
3121490	Chlorobenzene (Monochlorobenzene)
TRC-C364532-500MG	Chlorobenzene-13C6