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77790-08-0 | Butanoic acid, 3-bromo-, (S)-
CAS No: 77790-08-0 Catalog No: AG005F2Q MDL No:
Product Description
Catalog Number:
AG005F2Q
Chemical Name:
Butanoic acid, 3-bromo-, (S)-
CAS Number:
77790-08-0
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
IUPAC Name:
(3S)-3-bromobutanoic acid
InChI:
InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key:
HAIUIAZIUDPZIE-VKHMYHEASA-N
SMILES:
C[C@@H](CC(=O)O)Br
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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