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13196-61-7 | Acetic acid, [p-[bis(2-chloroethyl)amino]phenyl](p-chlorophenyl)- (8CI)
CAS No: 13196-61-7 Catalog No: AG000ZZX MDL No:
Product Description
Catalog Number:
AG000ZZX
Chemical Name:
Acetic acid, [p-[bis(2-chloroethyl)amino]phenyl](p-chlorophenyl)- (8CI)
CAS Number:
13196-61-7
Molecular Formula:
C18H18Cl3NO2
Molecular Weight:
386.7000
IUPAC Name:
2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(4-chlorophenyl)acetic acid
InChI:
InChI=1S/C18H18Cl3NO2/c19-9-11-22(12-10-20)16-7-3-14(4-8-16)17(18(23)24)13-1-5-15(21)6-2-13/h1-8,17H,9-12H2,(H,23,24)
InChI Key:
DXCWSQTZKDNJLI-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C(c1ccc(cc1)Cl)C(=O)O)CCCl
NSC Number:
76305
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.04g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.697g/mol
Monoisotopic Mass:
385.04g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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