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1-(2-Chloroethyl)-3-(furan-2-ylmethyl)urea
CAS
91621-12-4
Catalog Number
ACM91621124
Category
Other Products
Molecular Weight
202.638 g/mol
Molecular Formula
C8H11ClN2O2
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Specification
Synonyms
1-(2-Chloroethyl)-3-(2-furylmethyl)urea, 91621-12-4, CEFMU, AC1L40DP, AC1Q5P0L, CTK5H0197, KST-1B9496, AR-1B0544, NSC162281, AG-H-76280, NSC 162281, NSC-162281, 1-(2-chloroethyl)-3-(furan-2-ylmethyl)urea, Urea, N-(2-chloroethyl)-N-(2-furanylmethyl)-, (S)-
IUPAC Name
1-(2-chloroethyl)-3-(furan-2-ylmethyl)urea
Canonical SMILES
C1=COC(=C1)CNC(=O)NCCCl
InChI Key
VVYXILGQLAJZQA-UHFFFAOYSA-N
Boiling Point
404.2ºC at 760mmHg
Flash Point
198.3ºC
Density
1.234g/cm³
Exact Mass
202.05100
H-Bond Acceptor
2
H-Bond Donor
2
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2-chloroethyl)-3-(furan-2-ylmethyl)urea.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H11ClN2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 202.64 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H11ClN2O2/c9-3-4-10-8(12)11-6-7-2-1-5-13-7/h1-2,5H,3-4,6H2,(H2,10,11,12).
What is the InChIKey of the compound?
The InChIKey of the compound is VVYXILGQLAJZQA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=COC(=C1)CNC(=O)NCCCl.
What is the CAS number of the compound?
The CAS number of the compound is 91621-12-4.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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