Propyl 4-chlorobenzoate

CAT: 0926-ABA80030-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ABA80030-01Size:100 mg

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CAS Number

25800-30-0

MDL Number

MFCD12178053

Smiles

CCCOC (=O) C1=CC=C (C=C1) Cl

Molecular Formula

C10H11ClO2

Molecular Weight

198.64 g/mol

Controlled

Chemical Information

Propyl 4-chlorobenzoate

CAS Number	25800-30-0
PubChem CID	347840
IUPAC Name	propyl 4-chlorobenzoate
Molecular Formula	C10H11ClO2
Molecular Weight	198.64
XLogP	4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

CCCOC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H11ClO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3

InChIKey

BLEFFSGNRQPNCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25800-30-0

CID: 347840

Formula: C10H11ClO2

MW: 198.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.64
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	198.0447573
Monoisotopic Mass	198.0447573
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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
ABA80028-01	Propyl 2-chlorobenzoate
FS70459-01	Sodium 4-chlorobenzoate
FM31826-01	Methyl 4-chlorobenzoate
CBA94264-01	Butyl 4-chlorobenzoate
FE70299-01	Ethyl 4-chlorobenzoate
XAA91311-01	Propan-2-yl 4-chlorobenzoate
VEA07767-01	Ethyl 4-Bromo-3-chlorobenzoate
TNA77302	Isopropyl 3-amino-4-chlorobenzoate
DXC58366-01	Methyl 4-butoxy-2-chlorobenzoate
FM70663-01	Methyl 3-amino-4-chlorobenzoate

Catalog	Name
OR957102	Propyl 3-chlorobenzoate
AR-C04094-01	Propyl 4-Hydroxybenzoate (Propyl Paraben)
TRC-P838285-10G	Propyl 4-Hydroxybenzoate(Propyl Paraben)
GK2194-500g	Propyl 4-hydroxybenzoate
TRC-P834525-500MG	Propyl 4-Aminobenzoate
P917590	Propyl 4-Toluenesulfonate
sc-264151A	Propyl 4-boronobenzoate
JH411895	Propyl 4-oxopentanoate
OR98017	Propyl 4-bromobenzenesulfonate
RG-P181518-01	Propyl 4-Methylbenzenesulfonate