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81732-49-2 | 5-(BROMOACETYL)-1,3-PHENYLENE BIS(DIMETHYLCARBAMATE)
CAS No: 81732-49-2 Catalog No: AG0057R8 MDL No:
Product Description
Catalog Number:
AG0057R8
Chemical Name:
5-(BROMOACETYL)-1,3-PHENYLENE BIS(DIMETHYLCARBAMATE)
CAS Number:
81732-49-2
Molecular Formula:
C14H17BrN2O5
Molecular Weight:
373.1992
IUPAC Name:
[3-(2-bromoacetyl)-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
InChI:
InChI=1S/C14H17BrN2O5/c1-16(2)13(19)21-10-5-9(12(18)8-15)6-11(7-10)22-14(20)17(3)4/h5-7H,8H2,1-4H3
InChI Key:
UIWCLPRSQHCCHA-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C
EC Number:
279-805-6
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.203g/mol
Monoisotopic Mass:
372.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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