AG008KUB

79944-62-0 | (3-Chloro-5-nitrophenyl)methanol

AG008KUB

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CAS Number	79944-62-0
Catalog Number	AG008KUB(AGN-PC-09MQTA)
Chemical Name	(3-Chloro-5-nitrophenyl)methanol
IUPAC Name	(3-chloro-5-nitrophenyl)methanol
InChI	InChI=1S/C7H6ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChI Key	LKBQUSJJIYIBDP-UHFFFAOYSA-N
MDL Number	MFCD08236779
Molecular Formula	C7H6ClNO3
Molecular Weight	187.5804
SMILES	OCC1=CC([N+]([O-])=O)=CC(Cl)=C1
Synonyms	(3-CHLORO-5-NITROPHENYL)METHANOL, 79944-62-0, 3-CHLORO-5-NITROBENZYL ALCOHOL, AK-36416, SCHEMBL3912806, CTK5E7269, KS-00000LHA, DTXSID30680970, LKBQUSJJIYIBDP-UHFFFAOYSA-N, Benzenemethanol,3-chloro-5-nitro-, (3-Chloro-5-nitro-phenyl)-methanol, 2488AC, FCH858877, MFCD08236779, ZINC64033664, AKOS006285506, 3-CHLORO-5-NITROBENZENEMETHANOL, AB43995, DS-12931, AJ-114647, AX8045083, DB-075633, FT-0699323, C7H6ClNO3, ACN-052927,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.579g/mol
Monoisotopic Mass	187.004g/mol
Rotatable Bond Count	1
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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