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1805506-66-4 | Benzenemethanol, 3-bromo-5-fluoro-4-nitro-
CAS No: 1805506-66-4 Catalog No: AG00223U MDL No:MFCD26743738
Product Description
Catalog Number:
AG00223U
Chemical Name:
Benzenemethanol, 3-bromo-5-fluoro-4-nitro-
CAS Number:
1805506-66-4
Molecular Formula:
C7H5BrFNO3
Molecular Weight:
250.0219
MDL Number:
MFCD26743738
IUPAC Name:
(3-bromo-5-fluoro-4-nitrophenyl)methanol
InChI:
InChI=1S/C7H5BrFNO3/c8-5-1-4(3-11)2-6(9)7(5)10(12)13/h1-2,11H,3H2
InChI Key:
PBAGFRJZMVGGTC-UHFFFAOYSA-N
SMILES:
OCc1cc(F)c(c(c1)Br)[N+](=O)[O-]
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.023g/mol
Monoisotopic Mass:
248.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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