CAS
98932-70-8 Purity
96%
98932-70-8 Purity
96%
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(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CAS
98947-00-3
Catalog Number
ACM98947003
Category
Other Products
Molecular Weight
272.072120 [g/mol]
Molecular Formula
C10H9BrO4
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Specification
Synonyms
ZINC03750802, CID7048444, 98947-00-3
IUPAC Name
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
Canonical SMILES
C1COC2=C(O1)C=C(C(=C2)Br)CC(=O)O
InChI Key
RAWVTZMLRYXFNQ-UHFFFAOYSA-M
Boiling Point
404.2ºC at 760mmHg
Flash Point
198.3ºC
Density
1.685g/cm³
Exact Mass
271.96800
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C10H9BrO4.
When was the compound created and last modified?
The compound was created on 2005-09-14 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is RAWVTZMLRYXFNQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1COC2=C(O1)C=C(C(=C2)Br)CC(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 55.8 2.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of the compound?
The molecular weight of the compound is 273.08 g/mol.
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CAS
98937-00-9 Purity
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98937-00-9 Purity
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