AG00EJR6

56520-98-0 | 4-Ethyl-2-nitrophenol

AG00EJR6

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CAS Number	56520-98-0
Catalog Number	AG00EJR6(AGN-PC-0JLZE9)
Chemical Name	4-Ethyl-2-nitrophenol
EC Number	260-239-3
IUPAC Name	4-ethyl-2-nitrophenol
InChI	InChI=1S/C8H9NO3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3
InChI Key	NKWRRUKHBWTRPY-UHFFFAOYSA-N
MDL Number	MFCD16742721
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	OC1=CC=C(CC)C=C1[N+]([O-])=O
UNII	H11LD71YUH
Synonyms	4-Ethyl-2-nitrophenol, 56520-98-0, UNII-H11LD71YUH, H11LD71YUH, Phenol, 4-ethyl-2-nitro-, EINECS 260-239-3, Phenol,4-ethyl-2-nitro-, AC1Q5AP1, AC1L3N11, SCHEMBL1025776, CTK5A5270, DTXSID60205074, NKWRRUKHBWTRPY-UHFFFAOYSA-N, ALBB-025877, MFCD16742721, SBB072411, ZINC31333318, AKOS011654726, AS06526, CM10377, MCULE-8560952254, RP22982, AJ-84242, AS-33380, FT-0706853, ST45028137, T4100, EN300-78784, J-515284, Z1259161719, C8-H9-N-O3, CID91901, AR-1G2219, 58133-38-3,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number