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831219-91-1 | Butanoic acid, 4-[bis(2-chloroethyl)amino]-3-(1-oxopropoxy)-
CAS No: 831219-91-1 Catalog No: AG004WAZ MDL No:
Product Description
Catalog Number:
AG004WAZ
Chemical Name:
Butanoic acid, 4-[bis(2-chloroethyl)amino]-3-(1-oxopropoxy)-
CAS Number:
831219-91-1
Molecular Formula:
C11H19Cl2NO4
Molecular Weight:
300.1789
IUPAC Name:
4-[bis(2-chloroethyl)amino]-3-propanoyloxybutanoic acid
InChI:
InChI=1S/C11H19Cl2NO4/c1-2-11(17)18-9(7-10(15)16)8-14(5-3-12)6-4-13/h9H,2-8H2,1H3,(H,15,16)
InChI Key:
PSCWLHHBGVQBHP-UHFFFAOYSA-N
SMILES:
ClCCN(CC(OC(=O)CC)CC(=O)O)CCCl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.176g/mol
Monoisotopic Mass:
299.069g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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