CAS
93783-11-0 Purity
96%
93783-11-0 Purity
96%
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2-[(2-Chloro-1-oxoethyl)amino]ethyl acetate
CAS
93783-16-5
Catalog Number
ACM93783165
Category
Other Products
Molecular Weight
179.601500 [g/mol]
Molecular Formula
C6H10ClNO3
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Specification
Synonyms
EINECS 298-222-8, CID3022353, 2-((2-Chloro-1-oxoethyl)amino)ethyl acetate, 93783-16-5
IUPAC Name
2-[(2-chloroacetyl)amino]ethyl acetate
Canonical SMILES
CC(=O)OCCNC(=O)CCl
InChI Key
VQBLXJYMFADQHI-UHFFFAOYSA-N
Boiling Point
336.3ºC at 760 mmHg
Flash Point
157.2ºC
Density
1.21g/cm³
EC Number
298-222-8
Exact Mass
179.03500
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C6H10ClNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 179.60 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[(2-chloroacetyl)amino]ethyl acetate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H10ClNO3/c1-5(9)11-3-2-8-6(10)4-7/h2-4H2,1H3,(H,8,10).
What is the InChIKey of the compound?
The InChIKey of the compound is VQBLXJYMFADQHI-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(=O)OCCNC(=O)CCl.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count in the compound.
How many hydrogen bond acceptor counts are there in the compound?
There are 3 hydrogen bond acceptor counts in the compound.
How many rotatable bond counts are there in the compound?
There are 5 rotatable bond counts in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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