diphenyl (4-bromophenyl)(chloro)methylphosphonate

diphenyl (4-bromophenyl)(chloro)methylphosphonate

CAS: 189099-56-7

Formula: C19H15BrClO3P

SMILES: ClC(C1=CC=C(Br)C=C1)P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1

IUPAC: diphenyl [(4-bromophenyl)(chloro)methyl]phosphonate

InChI: InChI=1/C19H15BrClO3P/c20-16-13-11-15(12-14-16)19(21)25(22,23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H

Composition: C (52.14%), H (3.45%), Br (18.26%), Cl (8.10%), O (10.97%), P (7.08%)

Molar Mass: 437.65

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	435.963072
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZSYMFYMYJVSPDH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	102.48
Topological Polar Surface Area	35.53
Polarizability	40.57
Ring Count	3
Rotatable Bond Count	6

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