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126572-80-3 | 2-Butenedioic acid, 2-chloro-3-(dichloromethyl)-, (2E)-
CAS No: 126572-80-3 Catalog No: AG000SXZ MDL No:
Product Description
Catalog Number:
AG000SXZ
Chemical Name:
2-Butenedioic acid, 2-chloro-3-(dichloromethyl)-, (2E)-
CAS Number:
126572-80-3
Molecular Formula:
C5H3Cl3O4
Molecular Weight:
233.4339
IUPAC Name:
(E)-2-chloro-3-(dichloromethyl)but-2-enedioic acid
InChI:
InChI=1S/C5H3Cl3O4/c6-2(5(11)12)1(3(7)8)4(9)10/h3H,(H,9,10)(H,11,12)/b2-1-
InChI Key:
CNMCESFYDAVNPQ-UPHRSURJSA-N
SMILES:
ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl
UNII:
4WWG03AFHL
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.91g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.425g/mol
Monoisotopic Mass:
231.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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