AG002GIX

1878-91-7 | Acetic acid, 2-(4-bromophenoxy)-

AG002GIX

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CAS Number	1878-91-7
Catalog Number	AG002GIX(AGN-PC-0JLBRF)
Chemical Name	Acetic acid, 2-(4-bromophenoxy)-
EC Number	217-530-5
IUPAC Name	2-(4-bromophenoxy)acetic acid
InChI	InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key	SZEBGAQWWSUOHT-UHFFFAOYSA-N
MDL Number	MFCD00093070
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
NSC Number	65085
SMILES	O=C(O)COC1=CC=C(Br)C=C1
Synonyms	bromophenoxyacetic acid, p-bromophenoxyacetic acid, 4-Bromophenoxyacetic acid, 1878-91-7, 2-(4-bromophenoxy)acetic acid, (4-Bromophenoxy)acetic acid, Acetic acid, (4-bromophenoxy)-, p-Bromophenoxyacetic acid, p-Bromophenoxyacetate, p-Bromophenoxyacetic acvid, Acetic acid, 2-(4-bromophenoxy)-, Acetic acid, (p-bromophenoxy)-, SZEBGAQWWSUOHT-UHFFFAOYSA-N, MFCD00093070, 4-bromophenoxy acetic acid, EINECS 217-530-5, NSC 65085, ACMC-209eql, 4-BromophenoxyaceticAcid, Enamine_001972, AC1L2MDR, 4-bromo-phenoxyacetic acid, 4-BPA, NCIOpen2_002928, CBDivE_002657, (4-Bromophenoxy)ethanoic acid, SCHEMBL653251, (4-Bromo-phenoxy)-acetic acid, AC1Q269K, ARONIS000246, CHEMBL173307, Jsp003856, DTXSID2062034, 4-Bromophenoxyacetic acid, 95%, CTK0H4746, KS-00003TZI, SZEBGAQWWSUOHT-UHFFFAOYSA-, Aceticacid, 2-(4-bromophenoxy)-, HMS1399J14, ZINC142076, ALBB-000805, KS-00000CN7, NSC65085, ANW-23371, BBL008848, NSC-65085, SBB004535, STK025581, AKOS000264432, MCULE-1086285737, TRA0046917, VZ28622, Acetic acid, (p-bromophenoxy)- (8CI), AJ-12448, AK-94200, AN-50040, L666, SC-46688, ST039638, SY012298, DB-044659, TR-008692, B2746, BB 0221133, FT-0633890, ST24039405, 78B917, Z-4148, MFCD00093070 (95+%), I01-3342, W-107761, F1924-0026, InChI=1/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11), C8H7BrO3, C8-H7-Br-O3, KST-1A2370, CID74657, AR-1A5607, 4-Bromophenoxyacetic acid, 98% - 100G 100g, 1915-49-7, 108302-54-1,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

Lot Number