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20294-50-2 | Phenol, 4-bromo-2-methyl-6-nitro-
CAS No: 20294-50-2 Catalog No: AG0028L8 MDL No:MFCD09835004
Product Description
Catalog Number:
AG0028L8
Chemical Name:
Phenol, 4-bromo-2-methyl-6-nitro-
CAS Number:
20294-50-2
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD09835004
IUPAC Name:
4-bromo-2-methyl-6-nitrophenol
InChI:
InChI=1S/C7H6BrNO3/c1-4-2-5(8)3-6(7(4)10)9(11)12/h2-3,10H,1H3
InChI Key:
KWNYDIOUTKEIFL-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)[N+](=O)[O-])O
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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