AG002L7O

21120-68-3 | Benzoic acid, 4-(4-bromophenoxy)-

AG002L7O

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CAS Number	21120-68-3
Catalog Number	AG002L7O(AGN-PC-0L76RQ)
Chemical Name	Benzoic acid, 4-(4-bromophenoxy)-
IUPAC Name	4-(4-bromophenoxy)benzoic acid
InChI	InChI=1S/C13H9BrO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
InChI Key	GQZGWHFUVISZQO-UHFFFAOYSA-N
MDL Number	MFCD01244945
Molecular Formula	C13H9BrO3
Molecular Weight	293.1128
SMILES	O=C(O)C1=CC=C(OC2=CC=C(Br)C=C2)C=C1
Synonyms	4-(4-Bromophenoxy)benzoic acid, 21120-68-3, 4-(4-Bromo-phenoxy)-benzoic acid, ACMC-20amwj, Oprea1_800400, AC1N5W64, SCHEMBL9819228, CTK4E5916, DTXSID90400833, Benzoic acid,4-(4-bromophenoxy)-, ZINC5125484, 5433AH, Benzoic acid, 4-(4-bromophenoxy)-, MFCD01244945, 4-(4-Bromophenoxy)benzoic acid 97, AKOS000264561, 4-(4-Bromophenoxy)benzoic acid, 97%, AC-18584, AJ-53202, AX8090419, BC1340805, TC-169354, K-6084, J-013859, C13H9BrO3, CID4205865,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.974g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.116g/mol
Monoisotopic Mass	291.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H319-H400
Packing Group	Ⅲ
Precautionary statements	P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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