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101651-56-3 | Acetamide, N-[3-[2-[bis(2-bromoethyl)amino]ethyl]-4-methoxyphenyl]-
CAS No: 101651-56-3 Catalog No: AG00052B MDL No:
Product Description
Catalog Number:
AG00052B
Chemical Name:
Acetamide, N-[3-[2-[bis(2-bromoethyl)amino]ethyl]-4-methoxyphenyl]-
CAS Number:
101651-56-3
Molecular Formula:
C15H22Br2N2O2
Molecular Weight:
422.1554
IUPAC Name:
N-[3-[2-[bis(2-bromoethyl)amino]ethyl]-4-methoxyphenyl]acetamide
InChI:
InChI=1S/C15H22Br2N2O2/c1-12(20)18-14-3-4-15(21-2)13(11-14)5-8-19(9-6-16)10-7-17/h3-4,11H,5-10H2,1-2H3,(H,18,20)
InChI Key:
WYAAUUXICVWPIF-UHFFFAOYSA-N
SMILES:
BrCCN(CCBr)CCc1cc(ccc1OC)NC(=O)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.003g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.161g/mol
Monoisotopic Mass:
420.005g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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