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88166-35-2 | Benzoyl chloride, 3-[bis(2-chloropropyl)amino]-4-methyl-
CAS No: 88166-35-2 Catalog No: AG004DBB MDL No:
Product Description
Catalog Number:
AG004DBB
Chemical Name:
Benzoyl chloride, 3-[bis(2-chloropropyl)amino]-4-methyl-
CAS Number:
88166-35-2
Molecular Formula:
C14H18Cl3NO
Molecular Weight:
322.6578
IUPAC Name:
3-[bis(2-chloropropyl)amino]-4-methylbenzoyl chloride
InChI:
InChI=1S/C14H18Cl3NO/c1-9-4-5-12(14(17)19)6-13(9)18(7-10(2)15)8-11(3)16/h4-6,10-11H,7-8H2,1-3H3
InChI Key:
GXCDDBHKTTXLLH-UHFFFAOYSA-N
SMILES:
CC(CN(c1cc(ccc1C)C(=O)Cl)CC(Cl)C)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.654g/mol
Monoisotopic Mass:
321.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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