AG00FBQV

67878-76-6 | Methyl 5-bromo-2-naphthoate

AG00FBQV

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CAS Number	67878-76-6
Catalog Number	AG00FBQV(AGN-PC-00MQ6A)
Chemical Name	Methyl 5-bromo-2-naphthoate
IUPAC Name	methyl 5-bromonaphthalene-2-carboxylate
InChI	InChI=1S/C12H9BrO2/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h2-7H,1H3
InChI Key	KNUWUXJWMBRWJM-UHFFFAOYSA-N
MDL Number	MFCD08275021
Molecular Formula	C12H9BrO2
Molecular Weight	265.1027
SMILES	Brc1c2c(cc(cc2)C(=O)OC)ccc1
Synonyms	METHYL 5-BROMO-2-NAPHTHOATE, 67878-76-6, Methyl 5-bromonaphthalene-2-carboxylate, AK174815, SCHEMBL5762353, CTK5C6845, DTXSID60541762, KNUWUXJWMBRWJM-UHFFFAOYSA-N, MFCD08275021, ZINC21299913, AKOS005064477, AB44559, ACN-048468, DS-8919, methyl 5-bromo-naphthalene-2-carboxylate, TL8004781, 5-bromo-2-naphthalenecarboxylic acid methyl ester, 5-Bromo-2-naphthalenecarboxylic acid, Methyl Ester, 5-BROMONAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER, METHYL5-BROMO-2-NAPHTHOATE,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.979g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.106g/mol
Monoisotopic Mass	263.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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