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182500-28-3 | Phenol, 4-bromo-5-methyl-2-nitro-
CAS No: 182500-28-3 Catalog No: AG0023Y8 MDL No:MFCD12923347
Product Description
Catalog Number:
AG0023Y8
Chemical Name:
Phenol, 4-bromo-5-methyl-2-nitro-
CAS Number:
182500-28-3
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD12923347
IUPAC Name:
4-bromo-5-methyl-2-nitrophenol
InChI:
InChI=1S/C7H6BrNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3
InChI Key:
DNYRLBZBDGVLHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1O)C
EC Number:
605-968-3
Properties
Complexity:
182
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:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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