CAS
92599-00-3 Purity
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92599-00-3 Purity
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Carbonochloridic acid,1-chloro-2-methylpropyl ester
CAS
92600-11-8
Catalog Number
ACM92600118
Category
Other Products
Molecular Weight
171.02
Molecular Formula
C5H8Cl2O2
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Specification
Synonyms
ZINC02539482, ZINC04262407, CID7157208, 92600-11-8
IUPAC Name
[(1S)-1-chloro-2-methylpropyl] carbonochloridate
Canonical SMILES
CC(C)C(OC(=O)Cl)Cl
InChI Key
BOGLZTPABVHWDD-SCSAIBSYSA-N
Boiling Point
164.3ºC at 760 mmHg
Flash Point
128 °F
Density
1.173 g/mL at 25ºC(lit.)
Appearance
clear, colorless liquid
EC Number
618-859-0
Exact Mass
169.99000
Hazard Statements
T: Toxic;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
16-26-36/37/39-45
What is the molecular formula of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?
The molecular formula of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is C5H8Cl2O2.
What is the molecular weight of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?
The molecular weight of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is 171.02 g/mol.
What is the InChIKey of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?
The InChIKey of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is BOGLZTPABVHWDD-UHFFFAOYSA-N.
How many hydrogen bond acceptor count does Carbonochloridic acid, 1-chloro-2-methylpropyl ester have?
Carbonochloridic acid, 1-chloro-2-methylpropyl ester has 2 hydrogen bond acceptor counts.
What is the exact mass of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?
The exact mass of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is 169.9901349 g/mol.
What is the topological polar surface area of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?
The topological polar surface area of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is 26.3 Å2.
How many heavy atoms are present in Carbonochloridic acid, 1-chloro-2-methylpropyl ester?
There are 9 heavy atoms present in Carbonochloridic acid, 1-chloro-2-methylpropyl ester.
Does Carbonochloridic acid, 1-chloro-2-methylpropyl ester have any defined atom stereocenter count?
No, Carbonochloridic acid, 1-chloro-2-methylpropyl ester does not have any defined atom stereocenter count.
How many rotatable bond counts does Carbonochloridic acid, 1-chloro-2-methylpropyl ester have?
Carbonochloridic acid, 1-chloro-2-methylpropyl ester has 3 rotatable bond counts.
Is Carbonochloridic acid, 1-chloro-2-methylpropyl ester a canonicalized compound?
Yes, Carbonochloridic acid, 1-chloro-2-methylpropyl ester is a canonicalized compound.
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