AG00CU8Z

37470-58-9 | Ethyl 3-bromo-4-hydroxybenzoate

AG00CU8Z

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CAS Number	37470-58-9
Catalog Number	AG00CU8Z(AGN-PC-0LH5YC)
Chemical Name	Ethyl 3-bromo-4-hydroxybenzoate
IUPAC Name	ethyl 3-bromo-4-hydroxybenzoate
InChI	InChI=1S/C9H9BrO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3
InChI Key	CMXRBHNFKLKRFS-UHFFFAOYSA-N
MDL Number	MFCD06204654
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	O=C(OCC)C1=CC=C(O)C(Br)=C1
Synonyms	ETHYL 3-BROMO-4-HYDROXYBENZOATE, 37470-58-9, 3-bromo-4-hydroxybenzoic acid ethyl ester, C9H9BrO3, Benzoic acid, 3-bromo-4-hydroxy-, ethyl ester, AC1NGRQB, ARONIS010140, SCHEMBL2543424, CTK1A9541, KS-00001AVY, BBB/383, DTXSID80406526, CMXRBHNFKLKRFS-UHFFFAOYSA-N, ZINC8253056, ZX-AS003618, 1885AE, MFCD06204654, SBB067771, STL065740, ethyl 3-bromanyl-4-oxidanyl-benzoate, AKOS000319635, FCH1318354, MCULE-4446629855, OR17125, KS-000041L0, AJ-57391, AK130410, AX8188605, BB0287106, DB-069550, TC-067208, CS-0037718, FT-0655265, ST45046867, Z-0941, A823682, I14-5121, Ethyl 3-bromo-4-hydroxy-benzoate, CID4778964,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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