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197783-86-1 | Benzenemethanol, α-(difluoromethyl)-2-nitro-
CAS No: 197783-86-1 Catalog No: AG002B0E MDL No:
Product Description
Catalog Number:
AG002B0E
Chemical Name:
Benzenemethanol, α-(difluoromethyl)-2-nitro-
CAS Number:
197783-86-1
Molecular Formula:
C8H7F2NO3
Molecular Weight:
203.1429
IUPAC Name:
2,2-difluoro-1-(2-nitrophenyl)ethanol
InChI:
InChI=1S/C8H7F2NO3/c9-8(10)7(12)5-3-1-2-4-6(5)11(13)14/h1-4,7-8,12H
InChI Key:
DNGHTKXRXKQDHV-UHFFFAOYSA-N
SMILES:
FC(C(c1ccccc1[N+](=O)[O-])O)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.145g/mol
Monoisotopic Mass:
203.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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