AG000CXB

116632-23-6 | Phenol, 3-bromo-5-nitro-

AG000CXB

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CAS Number	116632-23-6
Catalog Number	AG000CXB(AGN-PC-0N5A94)
Chemical Name	Phenol, 3-bromo-5-nitro-
IUPAC Name	3-bromo-5-nitrophenol
InChI	InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
InChI Key	VJQGLUHOAIZTNK-UHFFFAOYSA-N
MDL Number	MFCD09965960
Molecular Formula	C6H4BrNO3
Molecular Weight	218.0049
SMILES	OC1=CC(Br)=CC(=C1)[N+]([O-])=O
Synonyms	3-bromo-5-nitrophenol, 116632-23-6, Phenol, 3-bromo-5-nitro-, 5-bromo-3-nitrophenol, 3-Bromo-5-nitro-phenol, AE-562/43287008, SCHEMBL219621, ACMC-2099t3, CTK0G0432, DTXSID90440759, VJQGLUHOAIZTNK-UHFFFAOYSA-N, KS-00000PJ5, ANW-16981, BBL103536, MFCD09965960, SBB095488, STL557346, ZINC19801529, 3-BROMO-5-HYDROXYNITROBENZENE, AKOS016002096, AS06516, CM10189, CS-W006488, AJ-75122, AK-77058, AS-20150, SC-95667, TC-105726, ST24041933, Z7790, B-9068, C6H4BrNO3, ACN-050207, CID10488984,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.937g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.006g/mol
Monoisotopic Mass	216.937g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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