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Structure

1,3-Benzenedicarboxylicacid, 5-bromo-, 1-methyl ester

CAS
161796-10-7
Catalog Number
ACM161796107
Category
Other Products
Molecular Weight
250.29
Molecular Formula
C9H7 Br O4

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Specification

Synonyms
CHEMPACIFIC 41251;METHYL 5-TERT-BUTYL-ISOPHTHALATE DIESTER;5-BROMO-1,3-BENZENEDICARBOXYLIC ACID MONOMETHYL ESTER;3-BROMO-5-(METHOXYCARBONYL)BENZOIC ACID;5-TERT-BUTYLBENZENE-1,3-BIS-METHYL CARBOXYLATE;5-TERT-BUTYL METHYLISOPHTHALATE;5-BROMOISOPHTHALIC ACI
IUPAC Name
3-bromo-5-methoxycarbonylbenzoic acid
Canonical SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)O)Br
InChI Key
QIXJVAGZPJKDGY-UHFFFAOYSA-N
Boiling Point
385.271ºC at 760 mmHg
Flash Point
186.806ºC
Density
1.66g/cm³
Exact Mass
257.95300
H-Bond Acceptor
4
H-Bond Donor
1
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