AG001N5Z

15121-84-3 | Benzeneethanol, 2-nitro-

AG001N5Z

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CAS Number	15121-84-3
Catalog Number	AG001N5Z(AGN-PC-0JKJ6R)
Chemical Name	Benzeneethanol, 2-nitro-
IUPAC Name	2-(2-nitrophenyl)ethanol
InChI	InChI=1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
InChI Key	SLRIOXRBAPBGEI-UHFFFAOYSA-N
MDL Number	MFCD00007192
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=[N+](C1=CC=CC=C1CCO)[O-]
UNII	J2TPT86IRJ
Synonyms	2-(2-Nitrophenyl)ethanol, 15121-84-3, 2-Nitrophenethyl alcohol, 2-Nitrobenzeneethanol, Benzeneethanol, 2-nitro-, O-NITROPHENETHYL ALCOHOL, 2-(2-nitrophenyl)ethan-1-ol, 2-(o-Nitrophenyl)ethanol, 2-(o-Nitrophenyl)ethyl alcohol, UNII-J2TPT86IRJ, Benzeneethanol, ar-nitro-, Phenethyl alcohol, o-nitro-, o-nitrophenylethanol, CCRIS 6078, EINECS 239-178-1, J2TPT86IRJ, 2-(2-nitrophenyl)-ethanol, BRN 2092464, AI3-36271, SLRIOXRBAPBGEI-UHFFFAOYSA-N, MFCD00007192, 68966-80-3, ar-Nitrophenethyl alcohol, 2-nitro phenethyl alcohol, EINECS 273-447-4, 2-Nitrophenethylalcohol, Benzeneethanol,2-nitro-, ACMC-1CB0W, DSSTox_CID_5763, 2-(o-nitrophenyl)-ethanol, AC1L1CE8, 2-(2-nitro-phenyl)ethanol, 2-(2-nitrophenyl) ethanol, DSSTox_RID_77914, DSSTox_GSID_25763, 3-06-00-01714 (Beilstein Handbook Reference), KSC526S5B, MLS001050153, 2-(2-Nitrophenyl)ethanol #, SCHEMBL249846, 2-Nitrophenethyl alcohol, 97%, CHEMBL2137523, DTXSID2025763, 2-(2-hydroxyethyl)-nitrobenzene, CTK4C6950, 1-(2-hydroxyethyl)-2-nitrobenzene, STR05203, ZINC2018917, Tox21_200295, ANW-47646, LS-883, SBB068780, AKOS009156887, CM14329, CS-W008358, MCULE-9915328676, NCGC00090875-01, NCGC00090875-02, NCGC00257849-01, AJ-32684, AK-45797, BR-45797, CJ-07409, CJ-31421, Q755, SC-62318, SMR001216595, SY032578, AB1007129, CAS-15121-84-3, DB-000164, ST2403839, TC-062241, FT-0608505, MFCD00007192 (97%), C-5331, 121N843, S01-0208, W-110404, Z1431002633, InChI=1/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H, null, Nitrophenylethanol, C8H9NO3, C8-H9-N-O3, CID27054, ACN-025661, 2-Nitrophenethyl alcohol, 97% - 1G 1g,

Complexity	155
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	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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