AG005UJ8

74733-30-5 | Methyl 4-(bromomethyl)-3-chlorobenzoate

AG005UJ8

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CAS Number	74733-30-5
Catalog Number	AG005UJ8(AGN-PC-03JBBI)
Chemical Name	Methyl 4-(bromomethyl)-3-chlorobenzoate
IUPAC Name	methyl 4-(bromomethyl)-3-chlorobenzoate
InChI	InChI=1S/C9H8BrClO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3
InChI Key	XTZCVWDSGCVDFI-UHFFFAOYSA-N
MDL Number	MFCD10566565
Molecular Formula	C9H8BrClO2
Molecular Weight	263.5156
SMILES	O=C(OC)C1=CC=C(CBr)C(Cl)=C1
Synonyms	methyl 4-(bromomethyl)-3-chlorobenzoate, 74733-30-5, METHYL 4-BROMOMETHYL-3-CHLOROBENZOATE, 4-(bromomethyl)-3-chlorobenzoic acid methyl ester, BENZOIC ACID, 4-(BROMOMETHYL)-3-CHLORO-, METHYL ESTER, SCHEMBL480297, CTK5E0414, KS-00000GLB, DTXSID90621748, XTZCVWDSGCVDFI-UHFFFAOYSA-N, Methyl 4bromomethyl-3-chlorobenzoate, ANW-49123, CL8564, MFCD10566565, ZINC32914729, AKOS015917379, AB56294, CS-W019325, GS-3974, AJ-85633, AK-76673, BR-76673, CJ-17995, SC-14416, AB0026545, DB-074873, TC-137868, 4CH-007477, FT-0655637, methyl 4-(bromomethyl)-3-chloranyl-benzoate, ST24031069, W8235, S-5137, 3-Chloro-4-(bromomethyl)benzoic acid methyl ester, A838210, S01-0081, Benzoic acid,4-(bromomethyl)-3-chloro-, methyl ester, C9H8BrClO2, METHYL4- -3-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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