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101492-42-6 | Cyclopropanecarboxylic acid, 2,2-dichloro-1-(3-nitrophenyl)-, (+)-
CAS No: 101492-42-6 Catalog No: AG0004ME MDL No:
Product Description
Catalog Number:
AG0004ME
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-dichloro-1-(3-nitrophenyl)-, (+)-
CAS Number:
101492-42-6
Molecular Formula:
C10H7Cl2NO4
Molecular Weight:
276.0729
IUPAC Name:
2,2-dichloro-1-(3-nitrophenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C10H7Cl2NO4/c11-10(12)5-9(10,8(14)15)6-2-1-3-7(4-6)13(16)17/h1-4H,5H2,(H,14,15)
InChI Key:
UBCDTQIGQLVYNA-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1(Cl)Cl)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.975g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.069g/mol
Monoisotopic Mass:
274.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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