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Home > Nitro Compounds > 80395-52-4
80395-52-4 | Arsonic acid,[(4-nitrophenyl)methyl]- (9CI)
CAS No: 80395-52-4 Catalog No: AG005B6C MDL No:
Product Description
Catalog Number:
AG005B6C
Chemical Name:
Arsonic acid,[(4-nitrophenyl)methyl]- (9CI)
CAS Number:
80395-52-4
Molecular Formula:
C7H8AsNO5
Molecular Weight:
261.0637
IUPAC Name:
(4-nitrophenyl)methylarsonic acid
InChI:
InChI=1S/C7H8AsNO5/c10-8(11,12)5-6-1-3-7(4-2-6)9(13)14/h1-4H,5H2,(H2,10,11,12)
InChI Key:
SPVFQMYEUKTCJQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C[As](=O)(O)O
NSC Number:
9040
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.962g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.065g/mol
Monoisotopic Mass:
260.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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