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113504-97-5 | Benzoic acid, 4-chloro-, 2-bromopropyl ester
CAS No: 113504-97-5 Catalog No: AG0008TP MDL No:
Product Description
Catalog Number:
AG0008TP
Chemical Name:
Benzoic acid, 4-chloro-, 2-bromopropyl ester
CAS Number:
113504-97-5
Molecular Formula:
C10H10BrClO2
Molecular Weight:
277.5422
IUPAC Name:
2-bromopropyl 4-chlorobenzoate
InChI:
InChI=1S/C10H10BrClO2/c1-7(11)6-14-10(13)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3
InChI Key:
NGBUNKCNSAJXEC-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccc(cc1)Cl)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.542g/mol
Monoisotopic Mass:
275.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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