4-Phenylphenyl chloroformate

CAT: 0926-DAA18573-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DAA18573-01Size:50 mg

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CAS Number

3185-73-7

MDL Number

MFCD24141223

Smiles

C1=CC=C (C=C1) C2=CC=C (C=C2) OC (=O) Cl

Molecular Formula

C13H9ClO2

Molecular Weight

232.66 g/mol

Controlled

Chemical Information

4-Phenylphenyl chloroformate

CAS Number	3185-73-7
PubChem CID	15462084
IUPAC Name	(4-phenylphenyl) carbonochloridate
Molecular Formula	C13H9ClO2
Molecular Weight	232.66
XLogP	4.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	228

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)Cl

InChI

InChI=1S/C13H9ClO2/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey

ISWLCQXWMQGGOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3185-73-7

CID: 15462084

Formula: C13H9ClO2

MW: 232.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.66
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	232.0291072
Monoisotopic Mass	232.0291072
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	228
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
NAA26248-01	(4-Phenylphenyl) urea
ZPA56822-01	4-Propylphenyl chloroformate
HAA69345-01	4-Chlorophenyl Chloroformate
FN00094-01	4-Nitrophenyl chloroformate
FF78852-01	4-Fluorophenyl chloroformate
HAA69344-01	4-Bromophenyl chloroformate
FM76648	4-Methoxyphenyl chloroformate
PCA45925-01	4-Cyanophenyl chloroformate
IQA12828-01	2- (4-Phenylphenyl) piperidine
BDA12923-01	2- (4-Phenylphenyl) aniline

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