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1020575-89-6 | Benzenemethanol, 5-bromo-α-methyl-2-nitro-
CAS No: 1020575-89-6 Catalog No: AG0006GK MDL No:MFCD10698996
Product Description
Catalog Number:
AG0006GK
Chemical Name:
Benzenemethanol, 5-bromo-α-methyl-2-nitro-
CAS Number:
1020575-89-6
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD10698996
IUPAC Name:
1-(5-bromo-2-nitrophenyl)ethanol
InChI:
InChI=1S/C8H8BrNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-5,11H,1H3
InChI Key:
QVXFCFXDPDWGNG-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(O)C)[N+](=O)[O-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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