AG00GSYC

913835-64-0 | 3-BROMO-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID 98

AG00GSYC

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CAS Number	913835-64-0
Catalog Number	AG00GSYC(AGN-PC-0786HN)
Chemical Name	3-BROMO-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID 98
IUPAC Name	[3-bromo-5-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BBrF3O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
InChI Key	VBYUDGIATDPECY-UHFFFAOYSA-N
MDL Number	MFCD08436051
Molecular Formula	C7H5BBrF3O2
Molecular Weight	268.8236
SMILES	FC(C1=CC(Br)=CC(B(O)O)=C1)(F)F
Synonyms	913835-64-0, 3-Bromo-5-(trifluoromethyl)phenylboronic acid, (3-Bromo-5-(trifluoromethyl)phenyl)boronic acid, 3-Bromo-5-(trifluoromethyl)benzeneboronic acid, [3-bromo-5-(trifluoromethyl)phenyl]boronic acid, MFCD08436051, 3-BROMO-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID 98, ACMC-209r9r, CTK5G9455, DTXSID90660197, ANW-39613, AKOS014827294, ZINC169745587, AB44934, PS-9503, RTR-028658, BC001822, BP-11306, TR-028658, FT-0687782, ST24034321, X1452, B-5623, A843833, [3-bromanyl-5-(trifluoromethyl)phenyl]boronic acid, I04-6126, C7H5BBrF3O2, 3-BROMO-5- BENZENEBORONICACID98,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.952g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	268.824g/mol
Monoisotopic Mass	267.952g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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