AG00FDZA

668262-52-0 | METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE

AG00FDZA

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CAS Number	668262-52-0
Catalog Number	AG00FDZA(AGN-PC-093QZS)
Chemical Name	METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE
IUPAC Name	methyl 2-(bromomethyl)-5-chlorobenzoate
InChI	InChI=1S/C9H8BrClO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
InChI Key	PVGXSSGKABOXTL-UHFFFAOYSA-N
MDL Number	MFCD06804577
Molecular Formula	C9H8BrClO2
Molecular Weight	263.5156
SMILES	O=C(OC)C1=CC(Cl)=CC=C1CBr
Synonyms	Methyl 2-(bromomethyl)-5-chlorobenzoate, 668262-52-0, Methyl 2-bromomethyl-5-chlorobenzoate, METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE, 2-BROMOMETHYL-5-CHLORO-BENZOIC ACID METHYL ESTER, SCHEMBL942693, CTK5C5272, DTXSID10679968, PVGXSSGKABOXTL-UHFFFAOYSA-N, KS-00000OS3, ANW-54185, CL8533, CM-274, MFCD06804577, ZINC66352292, AKOS015916928, AB30438, RTX-013429, AK-48995, DS-14852, methyl 2-(bromomethyl)-5-chlorobenzoate-, AJ-116677, DB-073799, 4CH-010484, BB 0258350, FT-0745466, ST24025184, Z5013, Z-5635, 2-(Bromomethyl)-5-chlorobenzoic acid methyl ester, 662B924, S01-0758, BENZOIC ACID, 2-(BROMOMETHYL)-5-CHLORO-, METHYL ESTER, C9H8BrClO2, Methyl2-(bromomethyl)-5-chlorobenzoate,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.515g/mol
Monoisotopic Mass	261.94g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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