AG003HSK

6526-72-3 | 1-Isopropyl-2-nitrobenzene

AG003HSK

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CAS Number	6526-72-3
Catalog Number	AG003HSK(AGN-PC-0WNONR)
Chemical Name	1-Isopropyl-2-nitrobenzene
EC Number	229-415-7
IUPAC Name	1-nitro-2-propan-2-ylbenzene
InChI	InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
InChI Key	BSMKYQUHXQAVKG-UHFFFAOYSA-N
MDL Number	MFCD00039739
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=[N+](C1=CC=CC=C1C(C)C)[O-]
Synonyms	2-Nitrocumene, 1-Isopropyl-2-nitrobenzene, 6526-72-3, o-Nitrocumene, Nitrocumene; 95%, 1-nitro-2-propan-2-ylbenzene, 2-Isopropylnitrobenzene, 2-Nitroisopropylbenzene, 2-Nitro-isopropylbenzene, nitrocumene, Cumene, o-nitro-, EINECS 229-415-7, o-Isopropylnitrobenzene, o-Nitroisopropylbenzene, AC1L30FJ, ACMC-1B8O4, SCHEMBL254406, CTK5C2455, DTXSID80215574, BSMKYQUHXQAVKG-UHFFFAOYSA-N, AC1Q2037, ZINC5447559, 9993AB, ANW-35022, MFCD00039739, AKOS015890279, Benzene,1-(1-methylethyl)-2-nitro-, FCH1118862, VZ25092, Benzene, 1-(1-methylethyl)-2-nitro-, KS-0000169T, AJ-54123, CC-11674, AX8011290, DB-054787, TC-123767, CS-0063158, FT-0636172, N0532, ST24027101, C-04612, F0001-1754, C9H11NO2, C9-H11-N-O2, CID81013, AR-1E4380, 6780-38-7,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
UN Code

Certificate of Analysis

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