AG003J2D

5470-65-5 | 3-Bromo-4-nitrophenol

AG003J2D

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CAS Number	5470-65-5
Catalog Number	AG003J2D(AGN-PC-0JKG0L)
Chemical Name	3-Bromo-4-nitrophenol
IUPAC Name	3-bromo-4-nitrophenol
InChI	InChI=1S/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChI Key	SZYVPWPBRABKAB-UHFFFAOYSA-N
MDL Number	MFCD09907826
Molecular Formula	C6H4BrNO3
Molecular Weight	218.0049
NSC Number	27960
SMILES	OC1=CC=C([N+]([O-])=O)C(Br)=C1
Synonyms	3-BROMO-4-NITROPHENOL, 5470-65-5, Phenol, 3-bromo-4-nitro-, 3-Bromo-4-nitro-phenol, NSC 27960, Phenol, 3-bromo-4-nitro- (8CI)(9CI), NSC27960, 3- bromo-4-Nitrophenol, Phenol,3-bromo-4-nitro-, 3-bromanyl-4-nitro-phenol, AC1L2IS4, SCHEMBL229154, CTK5A2354, DTXSID70203167, SZYVPWPBRABKAB-UHFFFAOYSA-N, ANW-44328, MFCD09907826, NSC-27960, SBB095487, ZINC35636647, AKOS015834612, CB-2607, CS-W003684, MB08147, QC-9897, TRA0061189, KS-000009C6, AC-29339, AJ-91999, AK-76862, CJ-18820, DS-16760, SC-22312, SY021067, AB0066158, ST2417537, TL8007214, TR-019342, 4CH-001927, FT-0663813, Z4867, M-8472, MFCD09907826 (97+%), A830334, AN-584/43409811, I01-9344, C6H4BrNO3, C6-H4-Br-N-O3, CID21647, ACN-038544, 106268-96-6,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number