CAS
38627-52-0 Purity
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38627-52-0 Purity
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2-Bromo-3-bromomethylthiophene
CAS
40032-76-6
Catalog Number
ACM40032766
Category
Organic & Printed Electronics
Molecular Weight
255.96g/mol
Molecular Formula
C5H4Br2S
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Specification
Synonyms
2-BROMO-3-(BROMOMETHYL)THIOPHENE;Thiophene, 2-bromo-3-(bromomethyl)-;2-BroMo-3-broMoMethylthio...;2-Bromo-3-(bromomethyl)thiophene 96%
IUPAC Name
2-bromo-3-(bromomethyl)thiophene
Canonical SMILES
C1=CSC(=C1CBr)Br
InChI
InChI=1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
InChI Key
ZPWPMAAPQZXPDD-UHFFFAOYSA-N
Complexity
76.8
Covalently-Bonded Unit Count
1
Exact Mass
255.838g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
8
Monoisotopic Mass
253.84005g/mol
Rotatable Bond Count
1
XLogP3
3.2
What is the molecular formula of 2-Bromo-3-bromomethylthiophene?
The molecular formula of 2-Bromo-3-bromomethylthiophene is C5H4Br2S.
What is the molecular weight of 2-Bromo-3-bromomethylthiophene?
The molecular weight of 2-Bromo-3-bromomethylthiophene is 255.96 g/mol.
What is the IUPAC name of 2-Bromo-3-bromomethylthiophene?
The IUPAC name of 2-Bromo-3-bromomethylthiophene is 2-bromo-3-(bromomethyl)thiophene.
What is the InChI of 2-Bromo-3-bromomethylthiophene?
The InChI of 2-Bromo-3-bromomethylthiophene is InChI=1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2.
What is the InChIKey of 2-Bromo-3-bromomethylthiophene?
The InChIKey of 2-Bromo-3-bromomethylthiophene is ZPWPMAAPQZXPDD-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromo-3-bromomethylthiophene?
The canonical SMILES of 2-Bromo-3-bromomethylthiophene is C1=CSC(=C1CBr)Br.
What is the CAS number of 2-Bromo-3-bromomethylthiophene?
The CAS number of 2-Bromo-3-bromomethylthiophene is 40032-76-6.
What is the molecular weight of 2-Bromo-3-bromomethylthiophene according to PubChem?
The molecular weight of 2-Bromo-3-bromomethylthiophene according to PubChem is 255.96 g/mol.
What is the XLogP3-AA value of 2-Bromo-3-bromomethylthiophene?
The XLogP3-AA value of 2-Bromo-3-bromomethylthiophene is 3.2.
Is 2-Bromo-3-bromomethylthiophene a canonicalized compound?
Yes, 2-Bromo-3-bromomethylthiophene is a canonicalized compound according to PubChem.
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