AG00G3S3

85070-57-1 | Methyl 4-(bromomethyl)-2-fluorobenzoate

AG00G3S3

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CAS Number	85070-57-1
Catalog Number	AG00G3S3(AGN-PC-02122H)
Chemical Name	Methyl 4-(bromomethyl)-2-fluorobenzoate
IUPAC Name	methyl 4-(bromomethyl)-2-fluorobenzoate
InChI	InChI=1S/C9H8BrFO2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,5H2,1H3
InChI Key	VPJNOBUHVFOGIO-UHFFFAOYSA-N
MDL Number	MFCD11976782
Molecular Formula	C9H8BrFO2
Molecular Weight	247.0610
SMILES	O=C(OC)C1=CC=C(CBr)C=C1F
Synonyms	METHYL 4-(BROMOMETHYL)-2-FLUOROBENZOATE, 85070-57-1, 4-Bromomethyl-2-fluorobenzoic acid methyl ester, Benzoic acid, 4-(bromomethyl)-2-fluoro-, methyl ester, SCHEMBL489064, VPJNOBUHVFOGIO-UHFFFAOYSA-N, CS-B1175, MFCD11976782, ZINC74942572, methyl 4-bromomethyl-2-fluorobenzoate, AKOS024258794, NE15364, AK153052, BS-13881, methyl 4-(bromomethyl)-2-fluoro-benzoate, SC-32415, AJ-121580, 4CH-004339, 4-Bromomethyl-2-fluoro-benzoic acid methyl ester,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.063g/mol
Monoisotopic Mass	245.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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