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18193-72-1 | Benzenepropanoic acid, α,β-dibromo-3-nitro-
CAS No: 18193-72-1 Catalog No: AG00238I MDL No:MFCD02338577
Product Description
Catalog Number:
AG00238I
Chemical Name:
Benzenepropanoic acid, α,β-dibromo-3-nitro-
CAS Number:
18193-72-1
Molecular Formula:
C9H7Br2NO4
Molecular Weight:
352.9642
MDL Number:
MFCD02338577
IUPAC Name:
2,3-dibromo-3-(3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H7Br2NO4/c10-7(8(11)9(13)14)5-2-1-3-6(4-5)12(15)16/h1-4,7-8H,(H,13,14)
InChI Key:
AYUJMWVMPDGXFF-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1cccc(c1)[N+](=O)[O-])Br)Br
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.872g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.966g/mol
Monoisotopic Mass:
350.874g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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