O-Tolyl Phosphorochloridate

CAT: 0024-sc-496903Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-496903Size:100 mg

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CAS Number

6630-13-3

Chemical Information

Bis(2-methylphenyl) phosphorochloridate

CAS Number	6630-13-3
PubChem CID	246668
IUPAC Name	1-[chloro-(2-methylphenoxy)phosphoryl]oxy-2-methylbenzene
Molecular Formula	C14H14ClO3P
Molecular Weight	296.68
XLogP	4.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	309

SMILES

CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)Cl

InChI

InChI=1S/C14H14ClO3P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3

InChIKey

RKQCRIBSOCCBQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6630-13-3

CID: 246668

Formula: C14H14ClO3P

MW: 296.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.68
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	296.0369090
Monoisotopic Mass	296.0369090
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	309
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
sc-496905	Di-p-tolyl Phosphorochloridate
sc-496906	Di-p-tolyl Phosphorochloridate-d14
sc-250593	O-Phenylene phosphorochloridate
sc-250593A	O-Phenylene phosphorochloridate
sc-207294	Anhydro- (O-carboxyphenyl) phosphorochloridate
sc-472262	O-Tolyl Acetate
sc-250598	O-Tolyl isocyanate
sc-236218	O-Tolyl isothiocyanate
sc-279926	O-Tolyl benzoate
sc-211350	Dimethyl Phosphorochloridate

Catalog	Name
165708	O-Tolyl Phosphorochloridate
TRC-D494622-25MG	o-Tolyl Phosphorochloridate-d14
454094-01	M-Tolyl Phosphorochloridate
TRC-D494630-10MG	Di-p-tolyl Phosphorochloridate
163726	Di-p-tolyl Phosphorochloridate
TRC-D494632-1MG	Di-p-tolyl Phosphorochloridate-d14
163727	Di-p-tolyl Phosphorochloridate-d14
002711	Anhydro- (O-carboxyphenyl) phosphorochloridate
MBS6029658-01	Anhydro-(O-carboxyphenyl)phosphorochloridate
A637725	Anhydro-(O-carboxyphenyl)phosphorochloridate, >90%