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Home > Aldehydes > 1955523-14-4
1955523-14-4 | 2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carbaldehyde hydrochloride
CAS No: 1955523-14-4 Catalog No: AG01B5JO MDL No:MFCD30181110
Product Description
Catalog Number:
AG01B5JO
Chemical Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carbaldehyde hydrochloride
CAS Number:
1955523-14-4
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD30181110
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carbaldehyde;hydrochloride
InChI:
InChI=1S/C10H11NO2.ClH/c12-7-8-1-2-10-9(5-8)6-11-3-4-13-10;/h1-2,5,7,11H,3-4,6H2;1H
InChI Key:
QHRVCVSIQPKDJT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)CNCCO2.Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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