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1681-52-3 | Acetic-1-13C acid, chloro- (7CI,8CI,9CI)
CAS No: 1681-52-3 Catalog No: AG001XT8 MDL No:
Product Description
Catalog Number:
AG001XT8
Chemical Name:
Acetic-1-13C acid, chloro- (7CI,8CI,9CI)
CAS Number:
1681-52-3
IUPAC Name:
2-chloroacetic acid
InChI:
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/i2+1
InChI Key:
FOCAUTSVDIKZOP-VQEHIDDOSA-N
Properties
Complexity:
42.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.986g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
1
Molecular Weight:
95.486g/mol
Monoisotopic Mass:
94.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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