Home Halogens 3-(4-bromo-2-nitrophenyl)propanoic acid

3-(4-bromo-2-nitrophenyl)propanoic acid

CAS No.:
1086386-16-4
Catalog Number:
AG00909Y
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
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Product Description
Catalog Number:
AG00909Y
Chemical Name:
3-(4-bromo-2-nitrophenyl)propanoic acid
CAS Number:
1086386-16-4
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD11655615
IUPAC Name:
3-(4-bromo-2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrNO4/c10-7-3-1-6(2-4-9(12)13)8(5-7)11(14)15/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
ZYCLOPCPLDELLP-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1[N+](=O)[O-])Br
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties