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2623-86-1 | Butanoic acid, 3-bromo-
CAS No: 2623-86-1 Catalog No: AG002SEE MDL No:MFCD00053318
Product Description
Catalog Number:
AG002SEE
Chemical Name:
Butanoic acid, 3-bromo-
CAS Number:
2623-86-1
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
MDL Number:
MFCD00053318
IUPAC Name:
3-bromobutanoic acid
InChI:
InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChI Key:
HAIUIAZIUDPZIE-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)Br
EC Number:
220-082-3
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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