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89210-31-1 | Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro-
CAS No: 89210-31-1 Catalog No: AG0045H2 MDL No:
Product Description
Catalog Number:
AG0045H2
Chemical Name:
Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro-
CAS Number:
89210-31-1
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
IUPAC Name:
2-(bromomethyl)-1,3-dimethyl-5-nitrobenzene
InChI:
InChI=1S/C9H10BrNO2/c1-6-3-8(11(12)13)4-7(2)9(6)5-10/h3-4H,5H2,1-2H3
InChI Key:
WKMKJIXIVRQQRU-UHFFFAOYSA-N
SMILES:
BrCc1c(C)cc(cc1C)[N+](=O)[O-]
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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