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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzeneacetic acid, 4-isocyanato-, ethyl ester

CCOC(=O)Cc1ccc(cc1)N=C=O Request for Quotation
Chemical Name: Benzeneacetic acid, 4-isocyanato-, ethyl ester
CAS Number: 827629-60-7
Product Number: AG00G4OQ(AGN-PC-050GZ6)
Synonyms:
MDL No:
Molecular Formula: C11H11NO3
Molecular Weight: 205.2099

Identification/Properties

Computed Properties
Molecular Weight:
205.213g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
205.074g/mol
Monoisotopic Mass:
205.074g/mol
Topological Polar Surface Area:
55.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
251
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

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
2206
Hazard Statements:
H301+H331-H315-H318-H317-H334-H335
Precautionary Statements:
P501-P261-P272-P270-P271-P264-P280-P284-P302+P352-P342+P311-P362+P364-P333+P313-P301+P310+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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