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Home > Nitro Compounds > 7500-86-9
7500-86-9 | 2,4,6-TRINITROBENZOYL CHLORIDE
CAS No: 7500-86-9 Catalog No: AG00G3IA MDL No:MFCD01664374
Product Description
Catalog Number:
AG00G3IA
Chemical Name:
2,4,6-TRINITROBENZOYL CHLORIDE
CAS Number:
7500-86-9
Molecular Formula:
C7H2ClN3O7
Molecular Weight:
275.5597
MDL Number:
MFCD01664374
IUPAC Name:
2,4,6-trinitrobenzoyl chloride
InChI:
InChI=1S/C7H2ClN3O7/c8-7(12)6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2H
InChI Key:
MWGGWCCALVNFPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C(=O)Cl)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
408026
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.557g/mol
Monoisotopic Mass:
274.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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