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20731-63-9 | Benzamide, 4-chloro-3,5-dinitro-
CAS No: 20731-63-9 Catalog No: AG002IZB MDL No:MFCD00017135
Product Description
Catalog Number:
AG002IZB
Chemical Name:
Benzamide, 4-chloro-3,5-dinitro-
CAS Number:
20731-63-9
Molecular Formula:
C7H4ClN3O5
Molecular Weight:
245.5768
MDL Number:
MFCD00017135
IUPAC Name:
4-chloro-3,5-dinitrobenzamide
InChI:
InChI=1S/C7H4ClN3O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,(H2,9,12)
InChI Key:
XIYABENEBOSULF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)N
EC Number:
243-998-5
NSC Number:
76582
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.575g/mol
Monoisotopic Mass:
244.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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