AG00050A

101623-69-2 | Carbonic acid, 1-chloroethyl 4-nitrophenyl ester

AG00050A

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CAS Number	101623-69-2
Catalog Number	AG00050A(AGN-PC-0N66YH)
Chemical Name	Carbonic acid, 1-chloroethyl 4-nitrophenyl ester
IUPAC Name	1-chloroethyl (4-nitrophenyl) carbonate
InChI	InChI=1S/C9H8ClNO5/c1-6(10)15-9(12)16-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
InChI Key	DXVQFTPXVZUWIF-UHFFFAOYSA-N
MDL Number	MFCD19441847
Molecular Formula	C9H8ClNO5
Molecular Weight	245.6165
SMILES	O=C(OC(Cl)C)OC1=CC=C([N+]([O-])=O)C=C1
Synonyms	101623-69-2, 1-chloroethyl (4-nitrophenyl) Carbonate, 1-chloroethyl 4-nitrophenyl carbonate, Carbonic acid, 1-chloroethyl 4-nitrophenyl ester, Carbonic acid 4-nitro-phenyl ester 1-chloro-ethyl ester, AK158831, AN-584/43503106, ACMC-20m4nr, SCHEMBL27126, CTK0G8080, DTXSID20441476, DXVQFTPXVZUWIF-UHFFFAOYSA-N, CS-M3307, KS-00000SH5, MFCD19441847, 1-Chloroethyl p-Nitrophenyl Carbonate, 1-Chloroethyl=4-nitrophenyl=carbonate, AKOS024259015, alpha-chloroethyl 4-nitrophenyl carbonate, AS-10733, alpha-chloroethyl para-nitrophenyl Carbonate, ST2403409, J3.610.296I, Z-8113, Carbonic acid,4-nitrophenyl ester 1-chloroethyl ester, CID10538354,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.009g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.615g/mol
Monoisotopic Mass	245.009g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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