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Home > Nitro Compounds > 1881330-33-1
1881330-33-1 | N-benzyl-3,5-dinitroaniline hydrochloride
CAS No: 1881330-33-1 Catalog No: AG00I2L3 MDL No:
Product Description
Catalog Number:
AG00I2L3
Chemical Name:
N-benzyl-3,5-dinitroaniline hydrochloride
CAS Number:
1881330-33-1
IUPAC Name:
N-benzyl-3,5-dinitroaniline;hydrochloride
InChI:
InChI=1S/C13H11N3O4.ClH/c17-15(18)12-6-11(7-13(8-12)16(19)20)14-9-10-4-2-1-3-5-10;/h1-8,14H,9H2;1H
InChI Key:
RTTPMXBUBUYFIP-UHFFFAOYSA-N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.706g/mol
Monoisotopic Mass:
309.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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