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Home > Nitro Compounds > 6083-79-0
6083-79-0 | Benzoic acid, 3-nitro-4-thiocyanato-
CAS No: 6083-79-0 Catalog No: AG00IARC MDL No:
Product Description
Catalog Number:
AG00IARC
Chemical Name:
Benzoic acid, 3-nitro-4-thiocyanato-
CAS Number:
6083-79-0
IUPAC Name:
3-nitro-4-thiocyanatobenzoic acid
InChI:
InChI=1S/C8H4N2O4S/c9-4-15-7-2-1-5(8(11)12)3-6(7)10(13)14/h1-3H,(H,11,12)
InChI Key:
HQDASRYDGNESOF-UHFFFAOYSA-N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.19g/mol
Monoisotopic Mass:
223.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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