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83803-85-4 | 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepine oxalate
CAS No: 83803-85-4 Catalog No: AG004SJF MDL No:
Product Description
Catalog Number:
AG004SJF
Chemical Name:
7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepine oxalate
CAS Number:
83803-85-4
Molecular Formula:
C18H17ClN2O4
Molecular Weight:
360.7916
IUPAC Name:
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine;oxalic acid
InChI:
InChI=1S/C16H15ClN2.C2H2O4/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3;(H,3,4)(H,5,6)
InChI Key:
JMJRVPZKFNGRIA-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1
EC Number:
280-905-7
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.088g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.794g/mol
Monoisotopic Mass:
360.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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