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139194-79-9 | Benzenemethanol, 3-bromo-5-nitro-
CAS No: 139194-79-9 Catalog No: AG001AHC MDL No:MFCD09056873
Product Description
Catalog Number:
AG001AHC
Chemical Name:
Benzenemethanol, 3-bromo-5-nitro-
CAS Number:
139194-79-9
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD09056873
IUPAC Name:
(3-bromo-5-nitrophenyl)methanol
InChI:
InChI=1S/C7H6BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChI Key:
WIXGOPRKQQGTHO-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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