Cas no 89782-94-5 (Sulfamic acid, [4-(1-methylethyl)benzoyl]-)
89782-94-5 structure
Product Name:Sulfamic acid, [4-(1-methylethyl)benzoyl]-
CAS No:89782-94-5
MF:C10H13NO4S
MW:243.27952170372
CID:589239
PubChem ID:13266227
Update Time:2025-04-19
Sulfamic acid, [4-(1-methylethyl)benzoyl]- Chemical and Physical Properties
Names and Identifiers
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- Sulfamic acid, [4-(1-methylethyl)benzoyl]-
- (4-propan-2-ylbenzoyl)sulfamic acid
- 89782-94-5
- [4-(Propan-2-yl)benzoyl]sulfamic acid
- DTXSID70533153
-
- Inchi: 1S/C10H13NO4S/c1-7(2)8-3-5-9(6-4-8)10(12)11-16(13,14)15/h3-7H,1-2H3,(H,11,12)(H,13,14,15)
- InChI Key: STTPZVLIBIKNHO-UHFFFAOYSA-N
- SMILES: S(NC(C1C=CC(=CC=1)C(C)C)=O)(=O)(=O)O
Computed Properties
- Exact Mass: 243.05652907g/mol
- Monoisotopic Mass: 243.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 336
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 91.8?2
Sulfamic acid, [4-(1-methylethyl)benzoyl]- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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