Home Nitros 2-(Bromomethyl)-1-methyl-3-nitrobenzene

2-(Bromomethyl)-1-methyl-3-nitrobenzene

CAS No.:
77378-54-2
Catalog Number:
AG00GAJF
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG00GAJF
Chemical Name:
2-(Bromomethyl)-1-methyl-3-nitrobenzene
CAS Number:
77378-54-2
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD12025269
IUPAC Name:
2-(bromomethyl)-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,5H2,1H3
InChI Key:
MVLKTVRKDHDFOJ-UHFFFAOYSA-N
SMILES:
BrCc1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties