CAS
93778-70-2 Purity
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93778-70-2 Purity
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1-Chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]propan-2-ol
CAS
93778-75-7
Catalog Number
ACM93778757
Category
Other Products
Molecular Weight
384.489880 [g/mol]
Molecular Formula
C9H17Br2ClO4
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Specification
Synonyms
EINECS 298-210-2, CID3022342, 1-Chloro-3-(3-(2,3-dibromopropoxy)-2-hydroxypropoxy)propan-2-ol, 93778-75-7
IUPAC Name
1-(3-chloro-2-hydroxypropoxy)-3-(2,3-dibromopropoxy)propan-2-ol
Canonical SMILES
C(C(COCC(CBr)Br)O)OCC(CCl)O
InChI Key
CMAHSPOWIVRMTO-UHFFFAOYSA-N
Boiling Point
471.8ºC at 760 mmHg
Flash Point
239.1ºC
Density
1.718g/cm³
EC Number
298-210-2
Exact Mass
381.91800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 3022342?
The molecular formula is C9H17Br2ClO4.
When was the compound first created on PubChem?
The compound was first created on August 8, 2005.
What is the molecular weight of the compound?
The molecular weight is 384.49 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(3-chloro-2-hydroxypropoxy)-3-(2,3-dibromopropoxy)propan-2-ol.
What is the InChIKey of the compound?
The InChIKey is CMAHSPOWIVRMTO-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.9.
How many rotatable bond counts are there in the compound?
There are 10 rotatable bond counts.
What is the formal charge of the compound?
The formal charge is 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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93778-72-4 Purity
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93778-72-4 Purity
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CAS
93778-88-2 Purity
>98.0%(GC)
93778-88-2 Purity
>98.0%(GC)
