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2998-56-3 | N,N-Bis(2-chloroethyl)carbamoyl chloride
CAS No: 2998-56-3 Catalog No: AG003SHN MDL No:MFCD00144974
Product Description
Catalog Number:
AG003SHN
Chemical Name:
N,N-Bis(2-chloroethyl)carbamoyl chloride
CAS Number:
2998-56-3
Molecular Formula:
C5H8Cl3NO
Molecular Weight:
204.4821
MDL Number:
MFCD00144974
IUPAC Name:
N,N-bis(2-chloroethyl)carbamoyl chloride
InChI:
InChI=1S/C5H8Cl3NO/c6-1-3-9(4-2-7)5(8)10/h1-4H2
InChI Key:
JAHXVUPWHXMPLG-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Cl)CCCl
EC Number:
221-075-8
NSC Number:
73023
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.475g/mol
Monoisotopic Mass:
202.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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