AG003KW3

42313-78-0 | 4-bromo-2-((ethylamino)methyl)phenol

AG003KW3

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CAS Number	42313-78-0
Catalog Number	AG003KW3(AGN-PC-03RDJX)
Chemical Name	4-bromo-2-((ethylamino)methyl)phenol
IUPAC Name	4-bromo-2-(ethylaminomethyl)phenol
InChI	InChI=1S/C9H12BrNO/c1-2-11-6-7-5-8(10)3-4-9(7)12/h3-5,11-12H,2,6H2,1H3
InChI Key	IHDCKEKALDGXGZ-UHFFFAOYSA-N
MDL Number	MFCD00013191
Molecular Formula	C9H12BrNO
Molecular Weight	230.1017
SMILES	OC1=CC=C(Br)C=C1CNCC
Synonyms	4-bromo-2-[(ethylamino)methyl]phenol, 42313-78-0, 4-Bromo-2-((ethylamino)methyl)phenol, 4-bromo-2-(ethylaminomethyl)phenol, 6109AJ, MFCD11940289, ZINC32024673, AKOS008150629, MCULE-5063915478, TRA0022375, KS-000009O7, AJ-84607, AK-85795, AS-32015, SY018707, AB0055603, TC-307647, CS-0061530, Z-4482, MFCD11940289 (97+%), C9H12BrNO, 2065-75-0,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.105g/mol
Monoisotopic Mass	229.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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