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82894-37-9 | N,N-BIS(2-CHLOROETHYL)-4-OCTOXY-ANILINE
CAS No: 82894-37-9 Catalog No: AG004RNM MDL No:
Product Description
Catalog Number:
AG004RNM
Chemical Name:
N,N-BIS(2-CHLOROETHYL)-4-OCTOXY-ANILINE
CAS Number:
82894-37-9
Molecular Formula:
C18H29Cl2NO
Molecular Weight:
346.3350
IUPAC Name:
N,N-bis(2-chloroethyl)-4-octoxyaniline
InChI:
InChI=1S/C18H29Cl2NO/c1-2-3-4-5-6-7-16-22-18-10-8-17(9-11-18)21(14-12-19)15-13-20/h8-11H,2-7,12-16H2,1H3
InChI Key:
VMMDKIGKOMDJTF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)N(CCCl)CCCl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.336g/mol
Monoisotopic Mass:
345.163g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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