4-Propylphenyl chloroformate

CAT: 0926-ZPA56822-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZPA56822-01Size:50 mg

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CAS Number

374568-22-6

MDL Number

MFCD02296025

Smiles

CCCC1=CC=C (C=C1) OC (=O) Cl

Molecular Formula

C10H11ClO2

Molecular Weight

198.64 g/mol

Controlled

Chemical Information

4-Propylphenyl chloroformate

CAS Number	374568-22-6
PubChem CID	81646773
IUPAC Name	(4-propylphenyl) carbonochloridate
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

CCCC1=CC=C(C=C1)OC(=O)Cl

InChI

InChI=1S/C10H11ClO2/c1-2-3-8-4-6-9(7-5-8)13-10(11)12/h4-7H,2-3H2,1H3

InChIKey

ZEUJLOMLNOILSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 374568-22-6

CID: 81646773

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
KCA04012	4- (4-Propylphenyl) aniline
HAA69345-01	4-Chlorophenyl Chloroformate
FN00094-01	4-Nitrophenyl chloroformate
FF78852-01	4-Fluorophenyl chloroformate
DAA18573-01	4-Phenylphenyl chloroformate
HAA69344-01	4-Bromophenyl chloroformate
FM76648	4-Methoxyphenyl chloroformate
PCA45925-01	4-Cyanophenyl chloroformate
FP61799-01	4- (4-Propylphenyl) benzoic acid
ABA71153-01	4- (4-Propylphenyl) butanoic acid

Catalog	Name
433169	4-Methylpentyl Chloroformate
TRC-F170000-1G	4-Fluorophenyl chloroformate
GK7618-10g	4-Nitrobenzyl chloroformate
sc-232607	4-Chlorophenyl chloroformate
OR11227-01	4-Nitrophenyl chloroformate
TRC-C292865-5ML	4-Chlorobutyl Chloroformate
OR1994-01	4-Methylphenyl chloroformate
OR1049270-01	4-Cyanophenyl chloroformate
OR18595	4-Bromophenyl chloroformate
89999005	4-Methoxyphenyl chloroformate