AG0017Q3

13795-24-9 | Carbonic acid, 4-nitrophenyl phenylmethyl ester

AG0017Q3

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CAS Number	13795-24-9
Catalog Number	AG0017Q3(AGN-PC-0JLUQJ)
Chemical Name	Carbonic acid, 4-nitrophenyl phenylmethyl ester
IUPAC Name	benzyl (4-nitrophenyl) carbonate
InChI	InChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2
InChI Key	QIXRWIVDBZJDGD-UHFFFAOYSA-N
MDL Number	MFCD00007323
Molecular Formula	C14H11NO5
Molecular Weight	273.2408
NSC Number	171047
SMILES	O=C(OCC1=CC=CC=C1)OC2=CC=C([N+]([O-])=O)C=C2
Synonyms	13795-24-9, Benzyl 4-nitrophenyl carbonate, benzyl (4-nitrophenyl) carbonate, Benzyl p-nitrophenyl carbonate, Carbonic acid, 4-nitrophenyl phenylmethyl ester, p-Nitrophenyl benzyl carbonate, 4-Nitrophenyl benzyl carbonate, Carbonic acid, benzyl p-nitrophenyl ester, QIXRWIVDBZJDGD-UHFFFAOYSA-N, AK-58803, Carbonic Acid Benzyl 4-Nitrophenyl Ester, NSC 171047, ACMC-1BS5H, AC1Q611M, SCHEMBL1714950, DTXSID1065637, CTK4C1044, KS-00000FQD, QIXRWIVDBZJDGD-UHFFFAOYSA-, AC1L3629, ZINC1874234, ANW-20365, MFCD00007323, NSC171047, (4-Nitrophenyl)phenylmethyl carbonate, Benzyl 4-nitrophenyl carbonate, 99%, (4-nitrophenyl) phenylmethyl carbonate, AKOS015840330, AKOS015889530, NSC-171047, 1-(Benzyloxycarbonyloxy)-4-nitrobenzene, CC-24466, DS-16262, TR-005028, C1591, FT-0636962, Carbonic acid,4-nitrophenyl phenylmethyl ester, C-30985, J-007083, I01-19703, InChI=1/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2, CID83737, AR-1H9559, C14-H11-N-O5, 13922-55-9,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.064g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.244g/mol
Monoisotopic Mass	273.064g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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