AG0039DQ

39622-80-5 | Dimethyl 2-bromoisophthalate

AG0039DQ

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CAS Number	39622-80-5
Catalog Number	AG0039DQ(AGN-PC-0NJY3U)
Chemical Name	Dimethyl 2-bromoisophthalate
IUPAC Name	dimethyl 2-bromobenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3
InChI Key	GHPOMFOMBISJGM-UHFFFAOYSA-N
MDL Number	MFCD17169956
Molecular Formula	C10H9BrO4
Molecular Weight	273.0801
SMILES	BrC1=C(C(=O)OC)C=CC=C1C(=O)OC
Synonyms	Dimethyl 2-bromoisophthalate, 39622-80-5, 2-bromoisophthalic acid dimethyl ester, 2-bromo-isophthalic acid dimethyl ester, GHPOMFOMBISJGM-UHFFFAOYSA-N, AK144351, DIMETHYL 2-BROMOBENZENE-1,3-DIOATE, 1,3-Dimethyl 2-bromobenzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester, 1,3-Benzenedicarboxylic acid, 2-bromo-, 1,3-dimethyl ester, SCHEMBL987813, KS-00000S0I, 2-Bromoisophthalic acid dimethylester, MFCD17169956, ZINC95933564, AKOS022186051, AS06166, CM13815, DS-7865, LS10768, AT-33977, BC004845, BC256635, dimethyl 2-bromobenzene-1,3-dicarboxylate, AJ-138095, CS-0038045, FT-0690118,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.082g/mol
Monoisotopic Mass	271.968g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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