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100709-31-7 | 1,2-Ethanediamine, N,N'-bis(4-bromophenyl)- (9CI)
CAS No: 100709-31-7 Catalog No: AG0002OU MDL No:
Product Description
Catalog Number:
AG0002OU
Chemical Name:
1,2-Ethanediamine, N,N'-bis(4-bromophenyl)- (9CI)
CAS Number:
100709-31-7
Molecular Formula:
C14H14Br2N2
Molecular Weight:
370.0824
IUPAC Name:
N,N'-bis(4-bromophenyl)ethane-1,2-diamine
InChI:
InChI=1S/C14H14Br2N2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,17-18H,9-10H2
InChI Key:
YNIPLYJFVZVJBV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NCCNc1ccc(cc1)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.95g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.088g/mol
Monoisotopic Mass:
367.952g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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