AG00I9P4

5428-54-6 | Phenol, 2-methyl-5-nitro-

AG00I9P4

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CAS Number	5428-54-6
Catalog Number	AG00I9P4(AGN-PC-0JM08A)
Chemical Name	Phenol, 2-methyl-5-nitro-
EC Number	226-580-7
IUPAC Name	2-methyl-5-nitrophenol
InChI	InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3
InChI Key	UMFDLIXUUJMPSI-UHFFFAOYSA-N
MDL Number	MFCD00043909
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
SMILES	C1=C([N+]([O-])=O)C=CC(=C1O)C
Synonyms	2-Methyl-5-nitrophenol, 5428-54-6, 5-Nitro-o-cresol, Phenol, 2-methyl-5-nitro-, 2-Hydroxy-4-nitrotoluene, 5-Nitro-2-cresol, o-Cresol, 5-nitro-, 5-Nitro-2-methylphenol, 2-Methy-5-nitrophenol, MFCD00043909, 2-methyl-5-nitro phenol, 2-Methyl-5-nitro-phenol, UMFDLIXUUJMPSI-UHFFFAOYSA-N, 2-Methyl-5-nitrophenol (5-Nitro-o-cresol), NSC 41203, 5-Nitro-o-kresol, EINECS 226-580-7, NSC 12987, NSC 50664, PubChem1484, ACMC-1B1XT, 5-Nitro-2-Methyl Phenol, AC1L3QH8, AC1Q1YR4, AC1Q2G6B, SCHEMBL61902, KSC269I6H, 2-Methyl-5-nitrophenol, 98%, DTXSID4063874, CTK1G9463, 4-NITRO-2-HYDROXYTOLUENE, ZINC164798, ACN-S003595, ACT07485, CS-M3391, KS-00000F8F, NSC12987, NSC41203, NSC50664, ANW-32029, CL8468, NSC-12987, NSC-41203, NSC-50664, SBB066991, AKOS002320217, AKOS015997243, AKOS024268498, AB01960, AC-7839, AN-8587, MCULE-9266114891, PS-3031, RL04021, RP21702, RTR-037041, AJ-16289, AK-40855, BR-40855, CJ-02225, SC-05212, TL806366, ZB008304, DB-032427, TR-037041, AM20060252, FT-0612983, FT-0635586, N0185, ST24032505, ST50758928, EN300-42470, 28M546, M-7103, SR-01000945200, I14-0333, J-509892, SR-01000945200-1, W-105648, Z1245635851, InChI=1/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H, C7H7NO3, C7-H7-N-O3, CID93576, AR-1G9103, 2-Methyl-5-nitrophenol, 99% - 25G 25g, 55780-25-1,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2446

Certificate of Analysis

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