CAS
92705-78-7 Purity
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92705-78-7 Purity
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beta-Bromo-atropaldehyde
CAS
92707-27-2
Catalog Number
ACM92707272
Category
Other Products
Molecular Weight
211.05528
Molecular Formula
C9H7BrO
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Specification
Synonyms
beta-Bromo-atropaldehyde
IUPAC Name
(E)-3-bromo-2-phenylprop-2-enal
Canonical SMILES
C1=CC=C(C=C1)C(=CBr)C=O
InChI Key
DAVINASGGHJHOC-TWGQIWQCSA-N
Exact Mass
209.96800
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of beta-Bromo-atropaldehyde?
The molecular formula of beta-Bromo-atropaldehyde is C9H7BrO.
What is the molecular weight of beta-Bromo-atropaldehyde?
The molecular weight of beta-Bromo-atropaldehyde is 211.05 g/mol.
What is the IUPAC name of beta-Bromo-atropaldehyde?
The IUPAC name of beta-Bromo-atropaldehyde is (E)-3-bromo-2-phenylprop-2-enal.
What is the InChI of beta-Bromo-atropaldehyde?
The InChI of beta-Bromo-atropaldehyde is InChI=1S/C9H7BrO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H/b9-6-.
What is the InChIKey of beta-Bromo-atropaldehyde?
The InChIKey of beta-Bromo-atropaldehyde is DAVINASGGHJHOC-TWGQIWQCSA-N.
What is the canonical SMILES of beta-Bromo-atropaldehyde?
The canonical SMILES of beta-Bromo-atropaldehyde is C1=CC=C(C=C1)C(=CBr)C=O.
What is the isomeric SMILES of beta-Bromo-atropaldehyde?
The isomeric SMILES of beta-Bromo-atropaldehyde is C1=CC=C(C=C1)/C(=C\Br)/C=O.
What is the XLogP3-AA value of beta-Bromo-atropaldehyde?
The XLogP3-AA value of beta-Bromo-atropaldehyde is 2.3.
What is the hydrogen bond donor count of beta-Bromo-atropaldehyde?
The hydrogen bond donor count of beta-Bromo-atropaldehyde is 0.
Is beta-Bromo-atropaldehyde a canonicalized compound?
Yes, beta-Bromo-atropaldehyde is a canonicalized compound.
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