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Home > Nitro Compounds > 13269-05-1
13269-05-1 | α,α'-Bi-p-toluidine, 3,3'-dinitro- (7CI,8CI)
CAS No: 13269-05-1 Catalog No: AG00110M MDL No:
Product Description
Catalog Number:
AG00110M
Chemical Name:
α,α'-Bi-p-toluidine, 3,3'-dinitro- (7CI,8CI)
CAS Number:
13269-05-1
Molecular Formula:
C14H14N4O4
Molecular Weight:
302.2854
IUPAC Name:
4-[2-(4-amino-2-nitrophenyl)ethyl]-3-nitroaniline
InChI:
InChI=1S/C14H14N4O4/c15-11-5-3-9(13(7-11)17(19)20)1-2-10-4-6-12(16)8-14(10)18(21)22/h3-8H,1-2,15-16H2
InChI Key:
YKBQRKDXOKJDTD-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)[N+](=O)[O-])CCc1ccc(cc1[N+](=O)[O-])N
NSC Number:
148796
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.29g/mol
Monoisotopic Mass:
302.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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