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18910-11-7 | Benzenepropanoic acid, α-bromo-3-nitro-
CAS No: 18910-11-7 Catalog No: AG002HWE MDL No:
Product Description
Catalog Number:
AG002HWE
Chemical Name:
Benzenepropanoic acid, α-bromo-3-nitro-
CAS Number:
18910-11-7
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
2-bromo-3-(3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrNO4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5H2,(H,12,13)
InChI Key:
GOLFLVGUAVKJIC-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cccc(c1)[N+](=O)[O-])Br
NSC Number:
101124
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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