AG008NI5

78137-76-5 | 4-Bromo-3-nitrophenol

AG008NI5

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CAS Number	78137-76-5
Catalog Number	AG008NI5(AGN-PC-0NKYOY)
Chemical Name	4-Bromo-3-nitrophenol
IUPAC Name	4-bromo-3-nitrophenol
InChI	InChI=1S/C6H4BrNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChI Key	MTNZLOXGKDQNKA-UHFFFAOYSA-N
MDL Number	MFCD11040194
Molecular Formula	C6H4BrNO3
Molecular Weight	218.0049
SMILES	N(=O)(=O)c1c(Br)ccc(c1)O
Synonyms	4-bromo-3-nitrophenol, 78137-76-5, Phenol, 4-bromo-3-nitro-, 2-Bromo-5-hydroxynitrobenzene, 1-Bromo-4-hydroxy-2-nitrobenzene, zlchem 875, PubChem22664, 3-Nitro-4-bromophenol, ACMC-1BJDT, 4-bromo-3-nitro-phenol, 4-bromanyl-3-nitro-phenol, AC1Q78NX, KSC494E3R, SCHEMBL228469, 2-Bromo-5-hydroxynitro benzene, CTK3J4238, KS-00000KQV, DTXSID70578569, ZLD0336, MTNZLOXGKDQNKA-UHFFFAOYSA-N, ACT06172, ANW-37156, MFCD11040194, ZINC21303819, AKOS015856521, CB-2608, CS-W008975, GS-4334, RP27087, RTC-060816, AC-23746, AJ-78469, AK-24863, AN-36679, BC004813, BC671117, BR-24863, CJ-16931, SC-22979, SY021066, AB0026708, DB-023117, ST2411210, TC-060816, 4CH-013638, A9850, AM20080751, FT-0647726, TL80073451, W8436, MFCD11040194 (95%), S-2525, 137B765, A839343, I01-8779, J-514752, C6H4BrNO3, ACN-040607,

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	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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